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    <publishedYear>2022</publishedYear>
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    <edition/>
    <issue>10</issue>
    <volume>12</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace>Basel</publisherPlace>
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    <title language="eng">Synthesis and Characterization of Ag/ZnO Nanoparticles for Bacteria Disinfection in Water</title>
    <abstract language="eng">n this study, two green synthesis routes were used for the synthesis of Ag/ZnO nanoparticles, using cassava starch as a simple and low-cost effective fuel and Aloe vera as a reducing and stabilizing agent. The Ag/ZnO nanoparticles were characterized and used for bacterial dis-&#13;
infection of lake water contaminated with Escherichia coli (E. coli). Characterization indicated the formation of a face-centered cubic structure of metallic silver nanoparticles with no insertion of Ag into the ZnO hexagonal wurtzite structure. Physicochemical and bacteriological analyses described in “Standard Methods for the Examination of Water and Wastewater” were used to evaluate the efficiency of the treatment. In comparison to pure ZnO, the synthesized Ag/ZnO nanoparticles showed high efficiencies against Escherichia coli (E. coli) and general coliforms present in the lake&#13;
water. These pathogens were absent after treatment using Ag/ZnO nanoparticles. The results indicate that Ag/ZnO nanoparticles synthesized via green chemistry are a promising candidate for the treatment of wastewaters contaminated by bacteria, due to their facile preparation, low-cost synthesis,and disinfection efficiency.</abstract>
    <parentTitle language="eng">Nanomaterials</parentTitle>
    <identifier type="doi">10.3390/nano12101764</identifier>
    <identifier type="issn">2079-4991</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-562440</identifier>
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    <enrichment key="date_peer_review">14.11.2022</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>J. de O. Primo</author>
    <author>D.F. Horsth</author>
    <author>J. de S. Correa</author>
    <author>A. Das</author>
    <author>C. Bittencourt</author>
    <author>P. Umek</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>Kirill Yusenko</author>
    <author>C. Zanetta</author>
    <author>F.J. Anaissi</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synchrotron</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BAMline</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/56244/nanomaterials-12-01764.pdf</file>
  </doc>
  <doc>
    <id>56765</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>12</pageLast>
    <pageNumber/>
    <edition/>
    <issue>21</issue>
    <volume>157</volume>
    <type>article</type>
    <publisherName>American Institute of Physics</publisherName>
    <publisherPlace>Melville, NY</publisherPlace>
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    <title language="eng">Dispersive x-ray absorption spectroscopy for time-resolved in situ monitoring of mechanochemical reactions</title>
    <abstract language="eng">X-ray absorption spectroscopy (XAS) provides a unique, atom-specific tool to probe the electronic structure of solids. By surmounting long-held limitations of powder-based XAS using a dynamically averaged powder in a Resonant Acoustic Mixer (RAM), we demonstrate how time-resolved in situ (TRIS) XAS provides unprecedented detail of mechanochemical synthesis. The use of a custom-designed dispersive XAS (DXAS) setup allows us to increase the time resolution over existing fluorescence measurements from ∼15 min to 2 s for a complete absorption spectrum. Hence, we here establish TRIS-XAS as a viable method for studying mechanochemical reactions and sampling reaction kinetics. The generality of our approach is demonstrated through RAM-induced (i) bottom-up Au nanoparticle mechanosynthesis and (ii) the synthesis of a prototypical metal organic framework, ZIF-8. Moreover, we demonstrate that our approach also works with the addition of a stainless steel milling ball, opening the door to using TRIS-DXAS for following conventional ball milling reactions. We expect that our TRIS-DXAS approach will become an essential part of the mechanochemical tool box.</abstract>
    <parentTitle language="eng">Journal of chemical physics</parentTitle>
    <identifier type="doi">10.1063/5.0130673</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-567659</identifier>
    <identifier type="issn">1089-7690</identifier>
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    <enrichment key="date_peer_review">02.01.2023</enrichment>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Cafer Tufan Cakir</author>
    <author>Martin Radtke</author>
    <author>M. Bilal Haider</author>
    <author>Franziska Emmerling</author>
    <author>P. F. M. Oliveira</author>
    <author>Adam Michalchuk</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ studies</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dipsersive XAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Time-resolved</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
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    <file>https://opus4.kobv.de/opus4-bam/files/56765/GuilhermeBuzanich al JChemPhys 2022.pdf</file>
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  <doc>
    <id>35777</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>56</pageFirst>
    <pageLast>61</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>125</volume>
    <type>article</type>
    <publisherName>Elsevier Science</publisherName>
    <publisherPlace>Amsterdam</publisherPlace>
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    <title language="eng">Double Dispersive X-Ray Fluorescence (D2XRF) based on an Energy Dispersive pnCCD detector for the detection of platinum in gold</title>
    <abstract language="eng">With the aim of improving limits of detection (LOD) of trace elements in a matrix with adjacent fluorescence energies, a simple double dispersive X-ray fluorescence detection system (D2XRF) was constructed to operate at the beamlines BAMline and the mySpot @ BESSY II. This system is based on the combination of a crystal analyzer with an energy resolving single photon counting pnCCD. Without further collimators, the efficient suppression of the background by the pnCCD and the good energy resolution of the crystal results in improved LOD. In first order reflections, an energy resolution of 13 eV for Cu Kα was reached, and an energy range of 1 keV was covered in one shot.&#13;
This new system was applied to the detection of platinum (Pt) in gold leaves with a LOD of 0.9 mg/kg, which is the lowest attained by totally non-destructive methods nowadays. The presence of Pt in gilded objects from Abydos and Byzantine mosaics provides vital information, as it indicates the alluvial origin of the gold for these examples.</abstract>
    <parentTitle language="eng">Microchemical Journal</parentTitle>
    <identifier type="doi">10.1016/j.microc.2015.10.039</identifier>
    <enrichment key="date_peer_review">20.04.2016</enrichment>
    <author>Martin Radtke</author>
    <author>Günter Buzanich</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Uwe Reinholz</author>
    <author>Heinrich Riesemeier</author>
    <author>O. Scharf</author>
    <author>Philipp Scholz</author>
    <author>M.F. Guerra</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Platinum Wavelength dispersive D2XRF</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Gold Synchrotron XRF</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>58911</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
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    <language>eng</language>
    <pageFirst>21456</pageFirst>
    <pageLast>21464</pageLast>
    <pageNumber/>
    <edition/>
    <issue>43</issue>
    <volume>127</volume>
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    <publisherName>American Chemical Society (ACS)</publisherName>
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    <title language="eng">Effects of Ligand Substituents on the Character of Zn-Coordination in Zeolitic Imidazolate Frameworks</title>
    <abstract language="eng">Due to their favorable properties and high porosity, zeolitic imidazolate frameworks (ZIFs) have recently received much limelight for key technologies such as energy storage, optoelectronics, sensorics, and catalysis. Despite widespread interest in these materials, fundamental questions regarding the zinc coordination environment remain poorly understood. By focusing on zinc(II)2-methylimidazolate (ZIF-8) and its tetrahedrally coordinated analogues with Br-, Cl-, and H-substitution in the 2-ring position, we aim to clarify how variations in the local environment of Zn impact the charge distribution and the electronic properties of these materials. Our results from densityfunctional theory confirm the presence of a Zn coordinative bond with a large polarization that is quantitatively affected by different substituents on the organic ligand. Moreover, our findings suggest that the variations in the Zn coordination induced by the functionalization have a negligible effect on the electronic structure of the considered compounds. On the other hand, halogen terminations of the ligands lead to distinct electronic contributions in the vicinity of the frontier region which ultimately reduce the band gap size by a few hundred millielectron volts. Experimental results obtained from X-ray absorption spectroscopy (Zn K-edge) confirm the trends predicted by theory and, together with them, contribute to a better understanding of the structure−property relationships that are needed to tailor ZIFs for target applications.</abstract>
    <parentTitle language="eng">The Journal of Physical Chemistry C</parentTitle>
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    <author>Joshua Edzards</author>
    <author>Holger-Dietrich Saßnick</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Ana M. Valencia</author>
    <author>Franziska Emmerling</author>
    <author>Sebastian Beyer</author>
    <author>Caterina Cocchi</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Surfaces</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Physical and Theoretical Chemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>General Energy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Electronic</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Coatings and Films</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Optical and Magnetic Materials</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/58911/edzards-et-al-2023.pdf</file>
  </doc>
  <doc>
    <id>54713</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1121</pageFirst>
    <pageLast>1131</pageLast>
    <pageNumber/>
    <edition/>
    <issue>3</issue>
    <volume>34</volume>
    <type>article</type>
    <publisherName>American Chemical Society</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Role of the Alkali Metal Cation in the Early Stages of Crystallization of Halide Perovskites</title>
    <abstract language="eng">ABX3 metal halide perovskites revolutionized the research and development of new optoelectronics, including solar cells and light-emitting diodes. Processing polycrystalline thin films from precursor solutions is one of the core advantages of these materials since it enables versatile and cost-effective manufacturing. The perovskite film morphology, that is, continuous substrate coverage and low surface roughness, is of paramount importance for highly efficient solar cells and optoelectronic devices in general. Controlling the chemistry of precursor solutions is one of the most effective strategies to manage the perovskite film morphology. Herein, we show the fundamental influence of the A-site cation composition on the perovskite precursor arrangement and the consequent film formation. Extended X-ray absorption fine structure spectroscopy and small-angle X-ray scattering give unprecedented insights into the complex structural chemistry of the perovskite precursors and, in particular, their repulsive interactions as a crucial parameter for colloidal stability. Combining these techniques with in situ grazing incidence wide-angle X-ray scattering during thin-film formation allows us to identify the mechanism for using alkali metals as a decisive criterion to control the colloidal stability of the perovskite precursor and thus the thin-film morphology. We illustrate the fundamental principle behind the systematic use of alkali metals regardless of whether they are incorporated in the lattice or not. Hence, this work provides tools to selectively control the morphology and crystal growth in present and future systems</abstract>
    <parentTitle language="eng">Chemistry of Materials</parentTitle>
    <identifier type="doi">10.1021/acs.chemmater.1c03563</identifier>
    <identifier type="issn">0897-4756</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">28.04.2022</enrichment>
    <author>M. A. Flatken</author>
    <author>E. Radicchi</author>
    <author>R. Wendt</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>E. Härk</author>
    <author>J. Pascual</author>
    <author>F. Mathies</author>
    <author>O. Shargaieva</author>
    <author>A. Prause</author>
    <author>A. Dallmann</author>
    <author>F. De Angelis</author>
    <author>A. Hoell</author>
    <author>A. Abate</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MAPbI3 perovskites</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Halide Perovskites</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray absorption spectroscopy</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>51760</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>10329</pageFirst>
    <pageLast>10332</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>56</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Tandem X-ray absorption spectroscopy and scattering for in situ time-resolved monitoring of gold nanoparticle mechanosynthesis</title>
    <abstract language="eng">Current time-resolved in situ approaches limit the scope of mechanochemical investigations possible. Here we develop a new, general approach to simultaneously follow the evolution of bulk atomic and electronic structure during a mechanochemical synthesis. This is achieved by coupling two complementary synchrotron-based X-ray methods: X-ray absorption spectroscopy (XAS) and X-ray diffraction. We apply this method to investigate the bottom-up mechanosynthesis of technologically important Au micro and nanoparticles in the presence of three different reducing agents, hydroquinone, sodium citrate, and NaBH4. Moreover, we show how XAS offers new insight into the early stage generation of growth species (e.g. monomers and clusters), which lead to the subsequent formation of nanoparticles. These processes are beyond the detection capabilities of diffraction methods. This combined X-ray approach paves the way to new directions in mechanochemical research of advanced electronic materials.</abstract>
    <parentTitle language="eng">ChemComm</parentTitle>
    <identifier type="doi">10.1039/d0cc03862h</identifier>
    <identifier type="issn">1364-548X</identifier>
    <enrichment key="date_peer_review">07.12.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Paulo de Olivera</author>
    <author>Adam Michalchuk</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Ralf Bienert</author>
    <author>R. Torresi</author>
    <author>P. Camargo</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray diffraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nano particles</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>65146</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>11</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>109</volume>
    <type>article</type>
    <publisherName>Wiley</publisherName>
    <publisherPlace>Oxford</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Determination of the oxidation depths of ground granulated blast furnace slag-containing cement pastes using Mn K-edge X-ray absorption near-edge structure spectroscopy</title>
    <abstract language="eng">The redox potential of the pore solution of hardened cements containing ground granulated blast furnace slag (GGBFS) affects reinforcement corrosion and immobilization of radioactive waste. Here, Mn K-edge X-ray absorption near-edge structure (XANES) spectroscopy was applied to determine the depth profile of the oxidation state of manganese in hardened GGBFS-containing cement pastes. Manganese was oxidized in the outer regions of some of the pastes, but the depth to which this occurred was not identical with the ‘blue-green/white color change front’, usually interpreted as indicating oxidation of sulfur species. For CEM III/B, the color change of the material was gradual and thus unsuitable for a precise determination of the oxidation depth, while for the alkali-activated slag, a distinct color change front was found, but full oxidation of manganese and sulfur had not occurred in the brighter region. Mn K-edge XANES spectroscopy is thus a more reliable method than the determination of the visual color change front to follow the ingress of the oxidation front.</abstract>
    <parentTitle language="eng">Journal of the American Ceramic Society</parentTitle>
    <identifier type="issn">0002-7820</identifier>
    <identifier type="issn">1551-2916</identifier>
    <identifier type="doi">10.1111/jace.70445</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-651469</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">29.112.2025</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Luís Urbano Durlo Tambara</author>
    <author>Ali Nikoonasab</author>
    <author>Martin Radtke</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Gregor Gluth</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Manganese</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Oxidation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sulfide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Alkali-activated materials</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Redox conditions</value>
    </subject>
    <collection role="ddc" number="624">Ingenieurbau</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="institutes" number="">7 Bauwerkssicherheit</collection>
    <collection role="institutes" number="">7.4 Baustofftechnologie</collection>
    <collection role="themenfelder" number="">Infrastruktur</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Green Intelligent Building</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/65146/jace70445.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/65146/jace70445-sup-0001-SuppMat.pdf</file>
  </doc>
  <doc>
    <id>64492</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>15</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Springer Science and Business Media LLC</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Adsorptive performance of single-walled carbon nanotubes for divalent manganese sorption characterized by X-ray absorption spectroscopy</title>
    <abstract language="eng">The adsorptive performance of divalent manganese onto single-walled carbon nanotubes (SWCNTs) is investigated by X-ray absorption spectroscopy (XAS). The study is focused on the one hand, on the use of SWCNT as adsorbent to remove divalent manganese II) pollutant controlling batch parameters such as pH, adsorbent dose and contact time; and on the other hand, on the characterization of manganese adsorbed by SWCNT (Mn-SWCNT) adsorbent to probe the chemical composition, oxidation state, and local structural environment of Mn absorber. Freundlich adsorption isotherm well fitted the experimental data and suggested the maximum adsorption capacity at pH 2. Ion exchange was proposed as the main adsorption mechanism for removing manganese using SWCNT. XAS results revealed the change in the oxidation state of manganese. The effect of pH, adsorbent dose, and contact time is shown. XAS also showed that Mn-SWCNT material is principally composed of MnCl2, Mn2O3, MnO2, Mn3O4, and MnO in decreasing order with MnCl2 and Mn2O3 as major compounds.</abstract>
    <parentTitle language="eng">Chemical Papers</parentTitle>
    <identifier type="issn">0366-6352</identifier>
    <identifier type="doi">10.1007/s11696-025-04418-5</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
    <enrichment key="local_crossrefDocumentType">journal-article</enrichment>
    <enrichment key="local_crossrefLicence">https://www.springernature.com/gp/researchers/text-and-data-mining</enrichment>
    <enrichment key="local_import_origin">crossref</enrichment>
    <enrichment key="local_doiImportPopulated">PersonAuthorFirstName_1,PersonAuthorLastName_1,PersonAuthorFirstName_2,PersonAuthorLastName_2,PersonAuthorFirstName_3,PersonAuthorLastName_3,PersonAuthorFirstName_4,PersonAuthorLastName_4,PublisherName,TitleMain_1,Language,TitleParent_1,PublishedYear,IdentifierIssn,Enrichmentlocal_crossrefLicence</enrichment>
    <enrichment key="opus.source">doi-import</enrichment>
    <enrichment key="date_peer_review">29.10.2025</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Bridinette Thiodjio Sendja</author>
    <author>Carol Trudel Tchouank Tekou</author>
    <author>Carsten Prinz</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Local environment</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Single-walled carbon nanotubes</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Divalent manganese</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Adsorptive performance</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray absorption spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Oxidation state</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
  </doc>
  <doc>
    <id>64427</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>11</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Wiley VHC-Verlag</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Designing Co–N/C Cathode Catalysts with Dense Atomic Cobalt Sites for Enhanced PEMFC Performance</title>
    <abstract language="eng">Metal-nitrogen/carbon (M-N/C) catalysts, particularly those incorporating Fe,Co, or Mn, are among the most promising non-platinum group catalysts forthe acidic oxygen reduction reaction (ORR) in fuel cells. This study reports aCo-N/C catalyst featuring high (3 wt%) cobalt content exclusively present asatomic sites. Extended X-ray absorption ﬁne structure analysis conﬁrms atetrapyridinic Co-N4 coordination environment in the optimized (3.0)Co-N/C𝚫catalyst. The high cobalt loading leads to a signiﬁcant density ofelectrochemically accessible active sites, 3.58 × 10 19 sites g−1 , quantiﬁed viathe nitrite stripping method. The catalyst demonstrates excellent ORR activityin a rotating ring-disk electrode setup, achieving a half-wave potential (E 1/2 ) of0.76 V at a low loading of 0.2 mg cm−2 and a mass activity of 3.5 A g−1 at 0.80VRHE . Single-cell hydrogen-oxygen PEMFC tests achieve a peak power densityexceeding 1.3 W cm−2 (iR-corrected). Under hydrogen-air condition, thecatalyst delivers 0.54 A cm−2 at 0.60 V (0.39 W cm−2 ). Despite the intrinsicallyhigher turnover frequency of Fe-based sites, the optimized(3.0)Co-N/C𝚫 catalyst achieves similar fuel cell performance to that of Fe-N/C,highlighting the critical role of site density in overall activity.</abstract>
    <parentTitle language="eng">Advanced Science</parentTitle>
    <identifier type="doi">10.1002/advs.202516060</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-644276</identifier>
    <identifier type="issn">2198-3844</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">27.10.2025</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Mengjun Gong</author>
    <author>Asad Mehmood</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Tim-Patrick Fellinger</author>
    <author>Colleen Jackson</author>
    <author>Junyi Cui</author>
    <author>Goran Drazic</author>
    <author>Anthony Kucernak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fuel cells</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Single atom catalysts</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Oxygen reduction reaction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Non-precious catalysts</value>
    </subject>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">3 Gefahrgutumschließungen; Energiespeicher</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="institutes" number="">3.6 Elektrochemische Energiematerialien</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/64427/Gong et al- Designing Co N C Cathode Catalysts with Dense Atomic Cobalt Sites for Enhanced PEMFC.pdf</file>
  </doc>
  <doc>
    <id>62693</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>17</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>15</volume>
    <type>article</type>
    <publisherName>Springer Nature</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">In-depth analysis of FeNi-based nanoparticles for the oxygen evolution reaction</title>
    <abstract language="eng">This study investigates the effect of varying iron-to-nickel ratios on the catalytic performance of Fe-Ni oxide nanoparticles (NPs) for the oxygen evolution reaction (OER). Addressing the issue of high energy wastage due to large overpotentials in OER, we synthesized and characterized different NP catalysts with different Fe: Ni oxide ratios. Transmission Electron Microscopy (TEM), Energy Dispersive X-ray Spectroscopy (EDS), and X-ray Diffraction (XRD) were employed to determine the morphology, elemental and phase composition of the NPs. Furthermore, in-depth profiling with X-ray Photoelectron Spectroscopy (XPS) and Hard X-ray Photoelectron Spectroscopy (HAXPES) revealed that iron predominantly exists as oxide, while nickel exhibits both metallic and oxidic forms depending on the Fe content. XPS indicated an enrichment of iron at the NP surface, whereas HAXPES and EDS data agreed on the bulk stoichiometry. The assessment of the catalytic activity via cyclic voltammetry (CV) showed that the Fe: Ni ratio of 2:3 exhibited superior performance, characterized by lower overpotential and a smaller Tafel slope.</abstract>
    <parentTitle language="eng">Scientific Reports</parentTitle>
    <identifier type="url">https://www.nature.com/articles/s41598-025-92720-3</identifier>
    <identifier type="doi">10.1038/s41598-025-92720-3</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-626932</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">24.03.2025</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Heydar Habibimarkani</author>
    <author>Sarah-Luise Abram</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Carsten Prinz</author>
    <author>Mario Sahre</author>
    <author>Vasile-Dan Hodoroaba</author>
    <author>Jörg Radnik</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fe-Ni oxide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticles</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>OER</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Catalytic performance</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cyclic voltammetry</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.2 Biophotonik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/62693/s41598-025-92720-3.pdf</file>
  </doc>
  <doc>
    <id>60623</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>8</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>2024</volume>
    <type>article</type>
    <publisherName>Wiley-VCH</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The Tetrapyrollic Motif in Nitrogen Doped Carbons and M-N-C Electrocatalysts as Active Site in the Outer-Sphere Mechanism of the Alkaline Oxygen Reduction Reaction</title>
    <abstract language="eng">Development and fundamental understanding of precious-group-metal-free electrocatalysts is hampered by limitations in the quantification of the intrinsic activity of different catalytic sites and understanding the different reaction mechanisms. Comparing isomorphic nitrogen-doped carbons, Zn-N-Cs and Fe-N-Cs with the common tetrapyrrolic motif, a catalyst-independent outer-sphere rate-determining step in the alkaline oxygen reduction reaction is observed. Density functional theory (DFT) simulations on tetrapyrrolic model structures indicate the highest occupied molecular orbital (HOMO) level as a good descriptor for the catalytic activity. Contour plots suggest that the electron transfer occurs directly from the tetrapyrrolic coordination site, rather than from the metal center. Metal-free tetrapyrrolic N4 sites are discovered to be highly active oxygen reduction reaction (ORR) active sites in alkaline that reach turnover frequencies (TOF) of 0.33 and 1.84 s−1 at 0.80 and 0.75 VRHE in the order of magnitude of tetrapyrrolic Fe–N4 sites in the acidic ORR. While Zn-coordination lowers the HOMO level and therefore the catalytic activity, Fe-coordination lifts the HOMO level resulting in TOF values of 0.4 and 4 s−1 for tetrapyrrolic Fe–N4 sites at 0.90 and 0.85 VRHE, respectively. At higher mass activities, the peroxide reduction becomes rate-limiting, where highest peroxide production rates are observed for the nitrogen-doped carbon.</abstract>
    <parentTitle language="eng">Advanced Energy Materials</parentTitle>
    <identifier type="doi">https://doi.org/10.1002/aenm.202400482</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-606239</identifier>
    <identifier type="issn">1614-6832</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">29.07.2024</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>D. Menga</author>
    <author>Jian Liang Low</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>B. Paulus</author>
    <author>Tim-Patrick Fellinger</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Tetrapyrollic</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Motif</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nitrogen</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Carbons</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Alkaline Oxygen</value>
    </subject>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">3 Gefahrgutumschließungen; Energiespeicher</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Wasserstoff</collection>
    <collection role="institutes" number="">3.6 Elektrochemische Energiematerialien</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/60623/Advanced Energy Materials - 2024.pdf</file>
  </doc>
  <doc>
    <id>56740</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>6</pageLast>
    <pageNumber/>
    <edition/>
    <issue>50</issue>
    <volume>61</volume>
    <type>article</type>
    <publisherName>Wiley-VHC</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Evaluation of the Specific Activity of MNCs and the Intrinsic Activity of Tetrapyrrolic FeN4 Sites for the Oxygen Reduction Reaction</title>
    <abstract language="eng">M−N−C electrocatalysts are considered pivotal to replace expensive precious group metal-based materials in electrocatalytic conversions. However, their development is hampered by the limited availability of methods for the evaluation of the intrinsic activity of different active sites, like pyrrolic FeN4 sites within Fe−N−Cs. Currently, new synthetic procedures based on active-site imprinting followed by an ion exchange reaction, e.g. Zn-to-Fe, are producing single-site M−N−Cs with outstanding activity. Based on the same replacement principle, we employed a conservative iron extraction to partially remove the Fe ions from the N4 cavities in Fe−N−Cs. Having catalysts with the same morphological properties and Fe ligation that differ solely in Fe content allows for the facile determination of the decrease in density of active sites and their turn-over frequency. In this way, insight into the specific activity of M−N−Cs is obtained and for single-site catalysts the intrinsic activity of the site is accessible. This new approach surpasses limitations of methods that rely on probe molecules and, together with those techniques, offers a novel tool to unfold the complexity of Fe−N−C catalyst and M−N−Cs in general.</abstract>
    <parentTitle language="eng">Angewandte Chemie International Edition</parentTitle>
    <identifier type="doi">10.1002/anie.202207089</identifier>
    <identifier type="issn">1433-7851</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-567406</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">02.01.2023</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>D. Menga</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>F. Wagner</author>
    <author>Tim-Patrick Fellinger</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fe-N-C catalysts</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>M-N-C catalysts</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fuel Cells</value>
    </subject>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">3 Gefahrgutumschließungen; Energiespeicher</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="institutes" number="">3.0 Abteilungsleitung und andere</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/56740/Menga_2022_Angewandte_Int_Ed.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/56740/Menga_2022_SI_Angewandte_Int_Ed.pdf</file>
  </doc>
  <doc>
    <id>48200</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1900328,1</pageFirst>
    <pageLast>10</pageLast>
    <pageNumber/>
    <edition/>
    <issue>20</issue>
    <volume>9</volume>
    <type>article</type>
    <publisherName>WILEY-VCH Verlag GmbH &amp; Co. KGaA</publisherName>
    <publisherPlace>Weinheim</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Zn0.35Co0.65O – A Stable and highly active oxygen evolution catalyst formed by zinc leaching and tetrahedral coordinated cobalt in wurtzite structure</title>
    <abstract language="eng">To arrive to sustainable hydrogen-based energy solutions, the understanding of water-splitting catalysts plays the most crucial role. Herein, state-of-the-art hypotheses are combined on electrocatalytic active metal sites toward the oxygen evolution reaction (OER) to develop a highly efficient catalyst based on Earth-abundant cobalt and zinc oxides.&#13;
The precursor catalyst Zn0.35Co0.65O is synthesized via a fast microwaveassisted approach at low temperatures. Subsequently, it transforms in situ from the wurtzite structure to the layered γ-Co(O)OH, while most of its zinc leaches out. This material shows outstanding catalytic Performance and stability toward the OER in 1 m KOH (overpotential at 10 mA cm−2 ηinitial = 306 mV, η98 h = 318 mV). By comparing the electrochemical results and ex situ analyses to today’s literature, clear structureactivity correlations are able to be identified. The findings suggest that coordinately unsaturated cobalt octahedra on the surface are indeed the active centers for the OER.</abstract>
    <parentTitle language="eng">Advanced Energy Materials</parentTitle>
    <identifier type="doi">10.1002/aenm.201900328</identifier>
    <identifier type="issn">1614-6832</identifier>
    <identifier type="issn">1614-6840</identifier>
    <enrichment key="date_peer_review">12.06.2019</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>S. Wahl</author>
    <author>S. M. El-Refaei</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>P. Amsalem</author>
    <author>K.-S. Lee</author>
    <author>N. Koch</author>
    <author>M.-L. Doublet</author>
    <author>N. Pinna</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Oxygen Evolution Catalyst</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XAFS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Oxygen evolution reaction (OER)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cobalt and zinc oxides</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>47319</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Hard X-ray spectroscopy and imaging at the BAMline and MySpot beamlines at BESSY II (Berlin, Germany)</title>
    <abstract language="eng">Overview of the X-ray based analytical methods conducted at the BAMline and µSpot Beamline for structure analysis.</abstract>
    <enrichment key="eventName">Pccr2 + AfLS conference</enrichment>
    <enrichment key="eventPlace">Accra, Ghana</enrichment>
    <enrichment key="eventStart">29.01.2019</enrichment>
    <enrichment key="eventEnd">02.02.2019</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synchrotron</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Beamline</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Material characterization</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>47207</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>239</pageFirst>
    <pageLast>246</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>34</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace>London</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A new experimental setup for time- and laterally-resolved X-ray absorption fine structure spectroscopy in a 'single shot'</title>
    <abstract language="eng">In this work, a new setup for dispersive XAFS measurements is presented. This reproducible and scanningfree setup yields both time- and laterally-resolved XAFS experiments in a ‘single-shot’. It allows a straightforward adjustment for probing different elements covering many relevant applications in materials science. An incoming energetic broadband beam is diffracted by a Si (111) crystal after passing through the sample and collected by an area sensitive detector. Depending on the energy range of the incoming beam, XANES and/or EXAFS spectra can be recorded with a time resolution down to 1 s. The feasibility of this setup was demonstrated at the BAMline at BESSY II (Berlin, Germany) with reference Fe and Cu foils and the results are hereby presented and discussed. Additionally, an application where time resolution on the second scale is required is briefly evaluated. The presented example concerns studying early stages of zinc(II)2-methylimidazolate (ZIF-8) crystallization. This is particularly important for biomedical applications.</abstract>
    <parentTitle language="eng">Journal of Analytical Atomic Spectrometry</parentTitle>
    <identifier type="doi">10.1039/c8ja00313k</identifier>
    <identifier type="issn">0267-9477</identifier>
    <identifier type="issn">1364-5544</identifier>
    <enrichment key="date_peer_review">22.01.2019</enrichment>
    <author>Anicó Kulow</author>
    <author>S. Witte</author>
    <author>S. Beyer</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>Uwe Reinholz</author>
    <author>H. Riesemeier</author>
    <author>C. Streli</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray absorption fine structure</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Time-resolved</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Laterally-resolved</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Experimental setup</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>47418</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Career talk &amp; lab tour - Working at BESSY II, a large scale research facility in Adlershof</title>
    <abstract language="eng">What exactly does a postdoc do at a research institute? What scientific questions does he or she want to address? What is their daily work routine? During our regular Lab Tours, female postdocs provide insight into their jobs. They also tell us about their career path: How did they get there? And what do they envision for their professional future?&#13;
This time, Dr. Ana Guilherme Buzanich, a scientist from the Structure Analysis division at the Bundesanstalt für Materialforschung und -prüfung (BAM), will give an overview of her Research areas. She works at the electron storage ring BESSY-II where she conducts experiments at two hard X-ray beamlines (BAMline and µSpot). The tour includes a guided visit of the research facility.</abstract>
    <enrichment key="eventName">Lab Tour &amp; Career Talk, WiNS</enrichment>
    <enrichment key="eventPlace">Berlin, Germany</enrichment>
    <enrichment key="eventStart">11.02.2019</enrichment>
    <enrichment key="eventEnd">11.02.2019</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Women in STEM</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray Spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synchrotron</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Beamline</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Material characterization</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>46775</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2034</pageFirst>
    <pageLast>2042</pageLast>
    <pageNumber/>
    <edition/>
    <issue>12</issue>
    <volume>33</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Zirconium permanent modifiers for graphite furnaces used in absorption spectrometry: understanding their structure and mechanism of action</title>
    <abstract language="eng">The mechanism of action of zirconium permanent modifiers on graphite surfaces was investigated in order to understand its influence on the analytical signal in atomic and molecular absorption spectrometry (AAS/MAS). For this, the molecule formation of CaF was studied, which is used for the indirect analytical determination of fluorine in high-resolution continuum source graphite furnace molecular absorption spectrometry (HR-CS-GFMAS). The kinetics of this reaction was established by monitoring its molecular spectrum at different atomisation temperatures. An Arrhenius plot showed a pseudo-first order reaction with respect to fluorine (n = 1). An intermediate state was isolated, and its structure was elucidated by spectroscopic methods: scanning electron microscopy with energy dispersive X-ray spectroscopy (SEMEDX), X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XANES and EXAFS), and Raman microspectroscopy. We propose here a mechanism, where ZrO2 acts as a heterogeneous catalyst: after a pyrolytic step, an intermediate state of ZrO(OCaF) is activated, and at higher temperatures, CaF(g) is released from the zirconium-coated graphite surface. No evidence of the formation of zirconium carbide was found. Consequently, as the CaF formation is catalysed by a heterogeneous catalyst, surface modifications with ZrO2 nanoparticles and ZrO xerogels were investigated in order to increase the surface area. Their influence was evaluated in the molecule formation of CaF, CaCl, CaBr, and CaI. Graphite furnace modification with zirconium oxide nanoparticles proves to be the best choice for fluorine analysis with a signal enhancement of more than eleven times with respect a non-coated graphite furnace. However, the influence of zirconium modifications in the analytical signals of Cl, and I is lower than the F signals or even negative in case of the Br. Understanding zirconium modifiers as heterogeneous catalysts offers a new perspective to AAS and MAS, and reveals the potential of surface analytical methods for development of improved permanent modifiers and graphite furnace coatings.</abstract>
    <parentTitle language="eng">Journal of Analytical Atomic Spectrometry</parentTitle>
    <identifier type="doi">10.1039/C8JA00190A</identifier>
    <identifier type="url">https://pubs.rsc.org/en/content/articlelanding/2018/ja/c8ja00190a</identifier>
    <identifier type="issn">0267-9477</identifier>
    <enrichment key="date_peer_review">13.12.2018</enrichment>
    <author>Carlos Enrique Abad Andrade</author>
    <author>S. Florek</author>
    <author>H. Becker-Ross</author>
    <author>M.-D. Huang</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>Andreas Lippitz</author>
    <author>Vasile-Dan Hodoroaba</author>
    <author>Thomas Schmid</author>
    <author>Hans-Joachim Heinrich</author>
    <author>Sebastian Recknagel</author>
    <author>Norbert Jakubowski</author>
    <author>Ulrich Panne</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Zirconium</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>HR-CS-MAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Graphite furnace</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticles</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Xerogel</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Calcium monofluoride</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Absorption spectrometry</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>47934</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1360</pageFirst>
    <pageLast>1370</pageLast>
    <pageNumber/>
    <edition/>
    <issue>8</issue>
    <volume>70</volume>
    <type>article</type>
    <publisherName>Wiley VCH-Verlag</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A µ‐XANES study of the combined oxidation/sulfidation of Fe–Cr model alloys</title>
    <abstract language="eng">The precise analysis of cation diffusion profiles through corrosion scales is an important aspect to evaluate corrosion phenomena under multicomponent chemical load, as during high‐temperature corrosion under deposits and salts. The present study shows a comprehensive analysis of cation diffusion profiles by electron microprobe analysis and microbeam X‐ray absorption near edge structure (µ‐XANES) spectroscopy in mixed oxide/sulfide scales grown on Fe–Cr model alloys after exposing them to 0.5% SO2. The results presented here correspond to depth‐dependent phase identification of oxides and sulfides in the corrosion scales by µ‐XANES and the description of oxidation‐state‐dependent diffusion profiles. Scales grown on low‐ and high‐alloyed materials show both a well‐pronounced diffusion profile with a high concentration of Fe3+ at the gas and a high concentration of Fe2+ at the alloy interface. The distribution of the cations within a close‐packed oxide lattice is strongly influencing the lattice diffusion phenomena due to their different oxidation states and therefore different crystal‐field preference energies. This issue is discussed based on the results obtained by µ‐XANES analysis.</abstract>
    <parentTitle language="eng">Materials and Corrosion</parentTitle>
    <identifier type="doi">10.1002/maco.201810644</identifier>
    <enrichment key="date_peer_review">15.08.2019</enrichment>
    <author>Kathrin Weber</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>Uwe Reinholz</author>
    <author>Christiane Stephan-Scherb</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray absorption spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Oxidation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sulfidation</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>48702</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1597</pageFirst>
    <pageLast>1608</pageLast>
    <pageNumber/>
    <edition/>
    <issue>6</issue>
    <volume>5</volume>
    <type>article</type>
    <publisherName>Elsevier Inc.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Improving the Acidic Stability of Zeolitic Imidazolate Frameworks by Biofunctional Molecules</title>
    <abstract language="eng">Zeolitic imidazolate frameworks (ZIFs) have been widely investigated for their use in separation, gas adsorption, catalysis, and biotechnology. Their practical applications, however, can be hampered by their structural instability in humid acidic conditions. Here, guided by density functional theory calculations, we demonstrate that the acidic stability of two polymorphic ZIFs (i.e., ZIF-8 and ZIF-L) can be enhanced by the incorporation of functional groups on polypeptides or DNA. A range of complementary synchrotron investigations into the local chemical structure and bonding environment suggest that the enhanced acidic stability arises from the newly established coordinative interactions between the Zn centers and the inserted carboxylate (for polypeptides) or phosphate (for DNA) groups, both of which have lower pKas than the imidazolate ligand. With functional biomolecular homologs (i.e., enzymes), we demonstrate a symbiotic stability reinforcement effect, i.e., the encapsulated biomolecules stabilize the ZIF matrix while the ZIF exoskeleton protects the enzyme from denaturation.</abstract>
    <parentTitle language="eng">CHEM</parentTitle>
    <identifier type="doi">10.1016/j.chempr.2019.03.025</identifier>
    <enrichment key="date_peer_review">19.08.2019</enrichment>
    <author>S. Gao</author>
    <author>J. Hou</author>
    <author>Z. Deng</author>
    <author>T. Wang</author>
    <author>Sebastian Beyer</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>J. J. Richardson</author>
    <author>A. Rawal</author>
    <author>R. Seidel</author>
    <author>M. Y. Zulkiﬂi</author>
    <author>W. Li</author>
    <author>T. D. Bennett</author>
    <author>A. K. Cheetham</author>
    <author>K. Liang</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Zeolitic Imidazolate Frameworks</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Biofunctional Molecules</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray Absorption Spectroscopy</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>47369</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>596</pageFirst>
    <pageLast>601</pageLast>
    <pageNumber/>
    <edition/>
    <issue>2</issue>
    <volume>187</volume>
    <type>article</type>
    <publisherName>Springer</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Assessment of Toxic Metals and Hazardous Substances in Tattoo Inks Using Sy-XRF, AAS, and Raman Spectroscopy</title>
    <abstract language="eng">Synchrotron radiation X-ray fluorescence spectroscopy, in conjunction with atomic absorption and Raman spectroscopy, was used to analyze a set of top brand tattoo inks to investigate the presence of toxic elements and hazardous substances. The Cr, Cu, and Pb contents were found to be above the maximum allowed levels established by the Council of Europe through the resolution ResAP(2008)1 on requirements and criteria for the safety of tattoos and permanent makeup. Raman analysis has revealed the presence of a set of prohibited substances mentioned in ResAP(2008)1, among which are the pigments Blue 15, Green 7, and Violet 23. Other pigments that were identified in white, black, red, and yellow inks are the Pigment White 6, Carbon Black, Pigment Red 8, and a diazo yellow, respectively. The present results show the importance of regulating tattoo ink composition.</abstract>
    <parentTitle language="eng">Biological Trace Element Research</parentTitle>
    <identifier type="doi">10.1007/s12011-018-1406-y</identifier>
    <enrichment key="date_peer_review">13.02.2019</enrichment>
    <author>M. Manso</author>
    <author>S. Pessanha</author>
    <author>M. Guerra</author>
    <author>Uwe Reinholz</author>
    <author>C. Afonso</author>
    <author>Martin Radtke</author>
    <author>H. Lourenco</author>
    <author>M. L. Carvalho</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synchrotron</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Tattoo inks</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XRF</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Toxic metals</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Hazardous substances</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>60996</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The versatility of X-ray absorption spectroscopy (XAS) for exploring new materials in collaborative research</title>
    <abstract language="eng">With increasing demand and environmental concerns, researchers are exploring new materials that can perform as well or better than traditional materials while reducing environmental impact. X-ray absorption spectroscopy (XAS) enables unique atom-specific tool to probe the electronic structure of materials. The BAM plays a central role in this highly collaborative research.  The BAMline, a real-life sample materials research beamline, at the Berlin Synchrotron BESSY-II, provides unique insights into materials’ electronic and chemical structure at different time and length scales. This enables real-time optimization of material properties and performance for various applications, such as energy storage and conversion, catalysis, and corrosion resistance. This talk provides an overview of the analytical methods and sample environments of the BAMline and addresses its potential for further advances in sustainable materials research.</abstract>
    <enrichment key="eventName">International symposium of radiation physics (ISRP-16)</enrichment>
    <enrichment key="eventPlace">Lisbon, Portugal</enrichment>
    <enrichment key="eventStart">01.09.2024</enrichment>
    <enrichment key="eventEnd">04.09.2024</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Time-resolved studies</value>
    </subject>
    <subject>
      <language>spa</language>
      <type>uncontrolled</type>
      <value>Operando</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Corrosion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Electrochemistry</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Degradationsmechanismen</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
  </doc>
  <doc>
    <id>63991</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Bridging Structure and Electronic State: Real-time XES–XRD Fusion for Functional Alloys</title>
    <abstract language="eng">We present a unified X-ray Emission Spectroscopy (XES) and X-ray Diffraction (XRD) approach for real-time, in situ characterization of materials, demonstrated on Co₂FeSi Heusler alloys under varied heat treatments. The combination of XES and XRD is particularly well-suited to Heusler alloys, where subtle changes in atomic ordering and electronic structure (e.g. site occupancy, hybridization, and spin state) are tightly interdependent and critical for their magnetic and transport properties. In addition, this method enables more efficient materials design by reducing experimental iterations through comprehensive structural and electronic analysis. Developed at the mySpot beamline at BESSY-II, the platform integrates (a) digital twin-based experiment planning, (b) open-source XES spectral simulations, (c) an optimized single-shot, two-element XES setup with sub-pixel resolution for enhanced energy precision, and (d) result-driven beamtime utilization. With an unprecedented synchronized XES-XRD platform, we aim to shed light on how diffusion-controlled processes in Heusler alloys and double perovskites at elevated temperatures establish the formation of specific phases with distinct structure types in real time. This, in turn, strongly impacts the functional properties of the materials under scrutiny.</abstract>
    <enrichment key="eventName">XLIV Colloquium Spectroscopicum Internationale</enrichment>
    <enrichment key="eventPlace">Ulm, Germany</enrichment>
    <enrichment key="eventStart">27.07.2025</enrichment>
    <enrichment key="eventEnd">01.08.2025</enrichment>
    <enrichment key="InvitedTalks">1</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Multimodal</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray diffraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Functional alloys</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>38367</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>57</pageFirst>
    <pageLast>67</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>339</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A combined in-situ XAS–DRIFTS study unraveling adsorbate induced changes on Pt nanoparticle structure</title>
    <abstract language="eng">The adsorption behavior of Platinum nanoparticles was studied for the as-received catalyst (under inert gas), under hydrogen and CO atmosphere using our newly designed in-situ cell. X-ray Absorption Spectroscopy (XAS) and Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) experiments were performed simultaneously with high data quality. Structural information and the type of adsorbate could be revealed via Extended X-ray Absorption Fine Structure (EXAFS) analysis, Δμ X-ray Absorption Near Edge Structure analysis (Δμ XANES) and in-situ DRIFTS. The as-received catalyst showed sub-surface oxygen and O(n-fold). Under CO atmosphere only CO(atop) was found. Reversible adsorbate induced changes of the Pt nanoparticle structure were derived from changes in the Pt-Pt coordination number and the corresponding bond distance. Under reducing conditions (H2, CO) a significant increase in both values occurred. Temperature dependent desorption of CO revealed a gradual shift from Pt-CO to Pt-O. Reoxidation was clearly assigned to strong metal support interaction from the SiO2 support.</abstract>
    <parentTitle language="eng">Journal od Catalysis</parentTitle>
    <identifier type="doi">10.1016/j.jcat.2016.03.034</identifier>
    <identifier type="issn">0021-9517</identifier>
    <author>C. Brieger</author>
    <author>J. Melke</author>
    <author>N. van der Bosch</author>
    <author>Uwe Reinholz</author>
    <author>Heinrich Riesemeier</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>M. Krishna Kayarkatte</author>
    <author>I. Derr</author>
    <author>A. Schökel</author>
    <author>C. Roth</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray absorption spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>DRIFTS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>CO adsoprtion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Platinum</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>String metal support interaction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Silica support</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Adsorbates</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Infrared spectroscopy</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Eigenverlag BAM</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>54016</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Studies of high-entropy alloys using x-ray absorption fine structure at the bamline</title>
    <abstract language="eng">BAM line is multipurpose high-energy beamline. To extend studies of multicomponent alloys using EXAFS we perform own research and user experiments requiring multiedge spectroscopy, high-temperature and chemically aggressive sample environments. Our study of multicomponent alloys and high-entropy alloys open new perspectives in understanding their reactivity, corrosion, phase transformations and local ordering.</abstract>
    <enrichment key="eventName">SPP2006: large scale facilities</enrichment>
    <enrichment key="eventPlace">Online meeting</enrichment>
    <enrichment key="eventStart">02.11.2021</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <author>Kirill Yusenko</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synchrotron studies</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High-entropy alloys</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>EXAFS</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>54144</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>8</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>64</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Investigation on Vanadium Species Distribution in Nafion™ 117 after Cyclization in a Vanadium Redox Flow Battery</title>
    <abstract language="eng">The vanadium redox flow battery (VRFB) is currently a potential candidate for stationary energy storage. A major challenge is the unintended vanadium transport through the separator, which results in a fade of capacity. To overcome this issue, it is necessary to understand the transport processes in the membrane on a more fundamental level. In this work, the vanadium species distribution in Nafion™ 117 after cyclization was investigated. Two membranes, one from a charged VRFB and another from a discharged VRFB, were analyzed using ultraviolet–visible spectroscopy (UV/VIS) and X-ray absorption near edge structure spectroscopy (XANES). Little difference between the two membranes was recognizable according to the UV/VIS results. In comparison, the XANES results showed that the membrane from the charged VRFB contains more V3+ than VO2+, whereas for the discharged case, more VO2+ is present in the membrane.</abstract>
    <parentTitle language="eng">Advances in X-Ray Analysis</parentTitle>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>C. Lutz</author>
    <author>S. Hampel</author>
    <author>S. Beuermann</author>
    <author>T. Turek</author>
    <author>U. Kunz</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>U. E. A. Fittschen</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synchrotron</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BAMline</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Vanadium redox flow battery</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
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    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
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    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>55815</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>11472</pageFirst>
    <pageLast>11484</pageLast>
    <pageNumber/>
    <edition/>
    <issue>18</issue>
    <volume>12</volume>
    <type>article</type>
    <publisherName>ACS</publisherName>
    <publisherPlace>Washington, DC</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Following adsorbed intermediates on a platinum gas diffusion electrode in H3PO3‑containing electrolytes using in situ X‑ray absorption spectroscopy</title>
    <abstract language="eng">One of the challenges of high-temperature polymer electrolyte membrane fuel cells is the poisoning of the Pt catalyst with H3PO4. H3PO4 is imbibed into the routinely used polybenzimidazole-based membranes, which facilitate proton conductivity in the temperature range of 120−200 °C. However, when leached out of the membrane by water produced during operation, H3PO4 adsorbs on the Pt catalyst surface, blocking the active sites and hindering the oxygen reduction reaction (ORR).&#13;
The reduction of H3PO4 to H3PO3, which occurs at the anode due to a combination of a low potential and the presence of gaseous H2, has been investigated as an additional important contributing factor to the observed poisoning effect. H3PO3 has an affinity toward adsorption on Pt surfaces even greater than that of H2PO4 −. In this work, we investigated the poisoning effect of both H3PO3 and H3PO4 using a half-cell setup with a gas diffusion electrode under ambient conditions. By means of in situ X-ray absorption spectroscopy, it was possible to follow the signature of different species adsorbed on the Pt nanoparticle catalyst (H, O, H2PO4 −, and H3PO3) at different potentials under ORR conditions in various electrolytes (HClO4, H3PO4, and H3PO3). It was found that H3PO3 adsorbs in a pyramidal configuration P(OH)3 through a Pt−P bond. The competition between H3PO4 and H3PO3 adsorption was studied, which should allow for a better understanding of the catalyst poisoning mechanism and thus assist in the development of strategies to mitigate this phenomenon in the future by minimizing H3PO3 generation by, for example, improved catalyst design or adapted operation conditions or changes in the electrolyte composition.</abstract>
    <parentTitle language="eng">ACS catalysis</parentTitle>
    <identifier type="doi">10.1021/acscatal.2c02630</identifier>
    <identifier type="issn">2155-5435</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">26.09.2022</enrichment>
    <author>F. G. Bruna</author>
    <author>M. Prokop</author>
    <author>T. Bystron</author>
    <author>R. Loukrakpam</author>
    <author>J. Melke</author>
    <author>C. M. S. Lobo</author>
    <author>M. Fink</author>
    <author>M. Zhu</author>
    <author>E. Voloshina</author>
    <author>M. Kutter</author>
    <author>H. Hoffmann</author>
    <author>Kirill Yusenko</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>B. Röder</author>
    <author>K. Bouzek</author>
    <author>B. Paulus</author>
    <author>C. Roth</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>H3PO4 life cycle</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ coupling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High-temperature fuel cells</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Δμ XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>H3PO3</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
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    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Degradationsmechanismen</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>51719</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>229176</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>483</volume>
    <type>article</type>
    <publisherName>Elsevier B.V.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Evidence for redox reactions during vanadium crossover inside the nanoscopic water-body of Nafion 117 using X-ray absorption near edge structure spectroscopy</title>
    <abstract language="eng">A major source of capacity fade of the common vanadium redox flow battery (VRFB) is the vanadium ion transport through the separator. However, different transport models disagree significantly in the diffusion coefficient for the different V species and the influence of different transport mechanisms. The underlying hypothesis of this work is that reactions inside the membrane are partly responsible for these discrepancies. Accordingly, it was investigated if redox reactions inside the nanoscopic water body of Nafion 117 can occur. X-ray absorption near edge structure spectroscopy (XANES) was used to distinguish between the different V species inside hydrated Nafion 117 and novel PVDF-based membranes. It was validated that the speciation of vanadium can be performed using the pre-edge peak energy and intensity. The experiments were performed as follows: strips of the membrane were exposed from one site to a V3+ solution (green) and from the other site to a VO2+ solution (yellow). The ions could diffuse into the membrane from both sides. A change of color of the membrane strip was observed. The blue color in the middle of the strip indicated that VO2+ was formed where V3+ and VO2+ got in contact. Using XANES this reaction inside Nafion was proven.</abstract>
    <parentTitle language="eng">Journal of Power Sources</parentTitle>
    <identifier type="doi">10.1016/j.jpowsour.2020.229176</identifier>
    <enrichment key="date_peer_review">25.03.2021</enrichment>
    <author>C. Lutz</author>
    <author>S. Hampel</author>
    <author>X. Ke</author>
    <author>S. Beuermann</author>
    <author>T. Turek</author>
    <author>U. Kunz</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>U. Fittschen</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>PVDF-Based membrane</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>VRFB</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Vanadium speciation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nafion 117</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>64676</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A Digital Twin Workflow for Optimizing X-ray Emission Spectroscopy (XES) Parameters in Material Science</title>
    <abstract language="eng">In this contribution, I present a digital twin-based workflow designed to optimize experimental parameters in X-ray emission spectroscopy (XES), with a focus on reproducibility, data integration, and alignment with FAIR (Findable, Accessible, Interoperable, Reusable) principles in materials science and engineering (MSE). The developed pipeline begins with automated retrieval of crystallographic information from the Materials Project database based on a given sample composition. This structural data is then used to simulate the corresponding XES spectra using FDMNES, allowing for accurate prediction of element-specific emission lines.&#13;
The simulated emission lines are fed into an X-ray tracing (XRT) module, which builds a virtual replica of the experimental setup. This digital twin environment enables predictive modeling of spectrometer performance based on geometric configurations. The optimization focuses on two key parameters: the choice of the analyzing crystal and the distance between the sample and crystal (which also defines the crystal–detector distance due to Bragg condition constraints). An active learning algorithm is employed to iteratively adjust these parameters in order to achieve a desired energy-per-pixel (E/pixel) resolution with minimal intensity loss, enabling efficient, data-driven experimental planning.&#13;
By integrating data-driven simulations with real-time optimization strategies, this workflow supports efficient experiment planning while minimizing resource consumption and human error. Furthermore, all stages of the process—from data collection and simulation to optimization and visualization—are structured to ensure traceability and interoperability, facilitating future reuse and collaborative research.&#13;
I hope this contribution aligns well with the topic “Workflows for FAIR MSE Data” and offers a concrete example of how digital twins can be harnessed to improve the design, execution, and documentation of spectroscopy experiments in the MSE domain.</abstract>
    <enrichment key="eventName">Opportunities and Challenges of FAIR Data at Photon and Neutron Facilities</enrichment>
    <enrichment key="eventPlace">Bad Honnef, Germany</enrichment>
    <enrichment key="eventStart">12.10.2025</enrichment>
    <enrichment key="eventEnd">15.10.2025</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Cafer Tufan Cakir</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Digital-Twin</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Optimization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Machine Learning</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>46068</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1800216, 1</pageFirst>
    <pageLast>10</pageLast>
    <pageNumber/>
    <edition/>
    <issue>9</issue>
    <volume>35</volume>
    <type>article</type>
    <publisherName>Wiley Online Library</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Discovering the determining parameters for the photocatalytic activity of TiO2 colloids based on an anomalous dependence on the speciﬁc surface area</title>
    <abstract language="eng">The photocatalytic (PC) performance of titanium dioxide (TiO2) nanoparticles strongly depends on their speciﬁc surface, the presence of crystal defects, their crystal phase, and the exposed crystal facets. In order to understand which of these factors contributes most signiﬁcantly to the PC activity of TiO2 colloids, all of them have to be individually analyzed. This study entails the synthesis of ﬁve anatase nanocrystal samples. By maintaining the same reactant ratios as well as hydrothermal sol–gel synthesis route and only varying the autoclaving time or temperature, different crystallite sizes are obtained under comparable experimental conditions. A decrease in PC performance with increase in speciﬁc surface area is found. Such an unexpected counterintuitive result establishes the basis for a better understanding of the crucial factors that ultimately determine the PC activity. These are investigated by studying nanocrystals bulk and surface structure and morphology using a selection of complementary analysis methods (X-ray photoelectron spectroscopy (XPS), X-ray absorption ﬁne structure (XAFS), X-ray diffraction (XRD)…). It is found that a change in the nanocrystal morphology from an equilibrium state truncated tetragonal bipyramid to a more elongated rod-like structure accompanied by an increase in oxygen vacancies is responsible for an augmented PC activity of the TiO2 nanocrystals.</abstract>
    <parentTitle language="eng">Particle &amp; Particle Systems Characterization</parentTitle>
    <identifier type="doi">10.1002/ppsc.201800216</identifier>
    <identifier type="issn">0934-0866</identifier>
    <identifier type="issn">1521-4117</identifier>
    <enrichment key="date_peer_review">27.09.2018</enrichment>
    <author>S. Wintzheimer</author>
    <author>Wojciech Szczerba</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>S. Kashiwaya</author>
    <author>A. Klein</author>
    <author>W. Jaegermann</author>
    <author>T. Toupance</author>
    <author>A. Shmeliov</author>
    <author>V. Nicolosi</author>
    <author>K. Heuzé</author>
    <author>K. Mandel</author>
    <author>S. Dembski</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ti-based colloids</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Photocatalysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XAFS</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>63115</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>51</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>preprint</type>
    <publisherName>American Chemical Society (ACS)</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">FeNb2O6 as a high-performance anode for sodium-ion batteries enabled by structural amorphization coupled with NbO6 local ordering.</title>
    <abstract language="eng">Pseudocapacitance-type transition metal oxides have been extensively investigated as anodes materials for lithium-ion batteries. Currently, they are also emerging as promising anodes for sodium-ion batteries due to their low volume change and safety. However, the potential electrochemical performance in sodium energy storage is not fully achieved, primarily due to the larger radius of the Na+-ions. Here, we report for the first time an iron niobate with columbite structure as a high-performance sodium storage anode. The presence of iron in the structure is vital to trigger the loss of long-range order through disorder of the FeO6 octahedra local structure, subsequently allowing reversible Na storage in an amorphous phase. Simultaneously, the formation of short-range ordered zigzag-chain structures within the NbO6 planes creates a “skeleton” that offers abundant active sites for pseudocapacitive ion storage and enhanced ion diffusion pathways. These characteristics of FeNb2O6 make it an effective intercalation host, offering high capacity along with fast Na+ insertion and extraction, as demonstrated through operando and ex-situ characterizations. It leads to an applicable reversible capacity ( 300 mAh g-1) with a favorable average voltage of ca. 0.6 V and excellent rate capability (180.4 mAh g-1 at a current density of 2 A g-1). This study provides insights into the development of intrinsically active transition metal oxides for Na+-ion intercalation.</abstract>
    <parentTitle language="eng">ChemRxiv - Materials Chemistry</parentTitle>
    <identifier type="doi">10.26434/chemrxiv-2025-2gn7z</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-631159</identifier>
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    <author>Yanchen Liu</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Paola Alippi</author>
    <author>Kug-Seung Lee</author>
    <author>Taeyeol Jeon</author>
    <author>Kilian Weißer</author>
    <author>Martin A. Karlsen</author>
    <author>Patrícia A. Russo</author>
    <author>Nicola Pinna</author>
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      <value>XAS</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sodium-Ion-Batteries</value>
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      <type>uncontrolled</type>
      <value>In-situ</value>
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    <file>https://opus4.kobv.de/opus4-bam/files/63115/Liu et al chemrxiv_2025.pdf</file>
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  <doc>
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    <publishedYear>2022</publishedYear>
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    <language>eng</language>
    <pageFirst>e202112880</pageFirst>
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    <pageNumber/>
    <edition/>
    <issue>4</issue>
    <volume>61</volume>
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    <title language="eng">Mechanochemically Synthesised Flexible Electrodes Based on Bimetallic Metal–Organic Framework Glasses for the Oxygen Evolution Reaction</title>
    <abstract language="eng">The melting behaviour of metal–organic frameworks (MOFs) has aroused significant research interest in the areas of materials science, condensed matter physics and chemical engineering. This work first introduces a novel method to fabricate a bimetallic MOF glass, through meltquenching of the cobalt-based zeolitic imidazolate Framework (ZIF) [ZIF-62(Co)] with an adsorbed ferric coordination complex. The high-temperature chemically reactive ZIF-62-(Co) liquid facilitates the formation of coordinative bonds between Fe and imidazolate ligands, incorporating Fe nodes into the framework after quenching. The resultant Co–Fe bimetallic MOF glass therefore shows a significantly enhanced oxygen evolution reaction performance. The novel bimetallic MOF glass, when combined with the facile and scalable mechanochemical synthesis technique for both discrete powders and surface coatings on flexible substrates, enables significant opportunities for catalytic device Assembly</abstract>
    <parentTitle language="eng">Angewandte Chemie Int. Ed.</parentTitle>
    <identifier type="doi">10.1002/anie.202112880</identifier>
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    <enrichment key="date_peer_review">13.12.2021</enrichment>
    <author>R. Lin</author>
    <author>X. Li</author>
    <author>A. Krajnc</author>
    <author>Z. Li</author>
    <author>M. Li</author>
    <author>W. Wang</author>
    <author>L. Zhuang</author>
    <author>S. Smart</author>
    <author>Z. Zhu</author>
    <author>D. Appadoo</author>
    <author>J. R. Harmer</author>
    <author>Z. Wang</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>S. Beyer</author>
    <author>L. Wang</author>
    <author>G. Mali</author>
    <author>T. D. Bennett</author>
    <author>V. Chen</author>
    <author>J. Hou</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Electrodes</value>
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    <subject>
      <language>eng</language>
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      <value>MOF</value>
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    <subject>
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      <value>OER</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XANES</value>
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      <type>uncontrolled</type>
      <value>XAS</value>
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    <subject>
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      <type>uncontrolled</type>
      <value>Bimetallic frameworks</value>
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    <pageFirst>13390</pageFirst>
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    <issue>19</issue>
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    <title language="eng">Synthesis, characterization and in situ monitoring of the mechanochemical reaction process of two manganese(II)-phosphonates with N-containing ligands</title>
    <abstract language="eng">Two divalent manganese aminophosphonates, manganese mono (nitrilotrimethylphosphonate) (MnNP3) and manganese bis N-(carboxymethyl)iminodi(methylphosphonate)) (Mn(NP2AH)2), have been prepared by mechanochemical synthesis and characterized by powder X-ray diffraction (PXRD). The structure of the novel compound Mn(NP2AH)2 was determined from PXRD data. MnNP3 as well as Mn(NP2AH)2 exhibits a chain-like structure.&#13;
In both cases, the manganese atom is coordinated by six oxygen atoms in a distorted octahedron. The local coordination around Mn was further characterized by extended X-ray absorption fine structure. The synthesis process was followed in situ by synchrotron X-ray diffraction revealing a three-step reaction mechanism. The asprepared manganese(II) phosphonates were calcined on air.&#13;
All samples were successfully tested for their suitability as catalyst material in the oxygen evolution reaction.</abstract>
    <parentTitle language="eng">Journal of Materials Science</parentTitle>
    <identifier type="doi">10.1007/s10853-018-2608-6</identifier>
    <identifier type="issn">0022-2461</identifier>
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    <author>Ana de Oliveira Guilherme Buzanich</author>
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    <author>C. Roth</author>
    <author>Franziska Emmerling</author>
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      <value>Mechanochemistry</value>
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    <subject>
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      <value>In situ</value>
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      <value>XRD</value>
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    <title language="eng">The versatility of XAS@BAM for real-time in situ electrocatalysis in collaborative materials research</title>
    <abstract language="eng">With the global push toward sustainable energy technologies, the development of efficient and durable electrocatalysts has become a research priority. Real-time in situ studies are essential to understand the dynamic behavior of catalysts under operational conditions. X-ray absorption spectroscopy (XAS) offers a unique, element-specific probe of electronic and structural changes at the active sites of electrocatalysts during electrochemical reactions.&#13;
At BAM, collaborative research efforts leverage the advanced capabilities of the BAMline at the Berlin Synchrotron BESSY-II to study electrocatalytic materials under realistic working conditions. As a dedicated materials research beamline, the BAMline enables in situ and operando XAS across different time and length scales, making it ideally suited for monitoring catalytic transformations in real time.&#13;
This presentation highlights the analytical strengths and sample environments developed for electrochemical cells at BAM, showcasing their application to electrocatalysis for energy conversion (e.g., water splitting, CO₂ reduction). Emphasis will be placed on how these insights contribute to the rational design and real-time optimization of functional materials for a sustainable energy future.</abstract>
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    <pageFirst>22712</pageFirst>
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    <title language="eng">Noncollinear Magnetic Structures in the Chiral Antiperovskite β-Fe&lt;sub&gt;2&lt;/sub&gt;SeO</title>
    <abstract language="eng">We present the magnetic properties of the chiral, polar, andpossibly magnetoelectric antiperovskite β-Fe2SeO as derived from magnet-ization and specific-heat measurements as well as from powder neutrondiffraction and Mössbauer experiments. Our macroscopic data unambig-uously reveal two magnetic phase transitions at TN1 ≈ 103 K and TN2 ≈ 78K, while Rietveld analysis of neutron powder diffraction data reveals anoncollinear antiferromagnetic structure featuring magnetic moments inthe a−b plane of the trigonal structure and a ferromagnetic moment alongc. The latter is allowed by symmetry between TN1 and TN2, weakly visible inthe magnetization data yet unresolvable microscopically. While theintermediate phase can be expressed in the trigonal magnetic spacegroup P31, the magnetic ground state is modulated by a propagation vectorq = (1/2 1/2 0) resulting in triclinic symmetry and an even more complexlow-temperature spin arrangement which is also reflected in the Mö ssbauer hyperfine patterns indicating additional splitting of Fesites below TN2. The complex noncollinear spin arrangements suggest interesting magnetoelectric properties of this polar magnet.</abstract>
    <parentTitle language="eng">Inorganic Chemistry</parentTitle>
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    <author>Samar Eltoukhy</author>
    <author>Vadim Grinenko</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Yevhen A. Onykiienko</author>
    <author>Anton Kulbakov</author>
    <author>Dmytro S. Inosov</author>
    <author>Peter Adler</author>
    <author>Martin Valldor</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>EXAFS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Antiperovskite</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Magnetic structure</value>
    </subject>
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  <doc>
    <id>55457</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
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    <pageNumber/>
    <edition/>
    <issue/>
    <volume>920</volume>
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    <publisherName>Elsevier</publisherName>
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    <contributingCorporation/>
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    <title language="eng">Inner relaxations in equiatomic single-phase high-entropy Cantoralloy</title>
    <abstract language="eng">The superior properties of high-entropy multi-functional materials are strongly connected with their atomic heterogeneity through many different local atomic interactions. The detailed element-specific studies on a local scale can provide insight into the primary arrangements of atoms in multicomponent systems and benefit to unravel the role of individual components in certain macroscopic properties of complex compounds. Herein, multi-edge X-ray absorption spectroscopy combined with reverse Monte Carlo simulations was used to explore a homogeneity of the local crystallographic ordering and specific structure relaxations of each constituent in the equiatomic single-phase facecentered cubic CrMnFeCoNi high-entropy alloy at room temperature. Within the considered fitting approach, all five elements of the alloy were found to be distributed at the nodes of the fcc lattice without any signatures of the additional phases at the atomic scale and exhibit very close statistically averaged interatomic distances (2.54 – 2.55 Å) with their nearest-neighbors. Enlarged structural displacements were found solely for Cr atoms. The macroscopic magnetic properties probed by conventional magnetometry demonstrate no opening of the hysteresis loops at 5 K and illustrate a complex character of the long-range magnetic order after field-assisted cooling in ± 5 T. The observed magnetic behavior is assigned to effects related to structural relaxations of Cr. Besides, the advantages and limitations of the reverse Monte Carlo approach to studies of multicomponent systems like high-entropy alloys are highlighted.</abstract>
    <parentTitle language="eng">Journal of Alloys and Compounds</parentTitle>
    <identifier type="doi">10.1016/j.jallcom.2022.165999</identifier>
    <identifier type="issn">0925-8388</identifier>
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    <author>A. Smekhova</author>
    <author>A. Kuzmin</author>
    <author>K. Siemensmeyer</author>
    <author>R. Abrudan</author>
    <author>Uwe Reinholz</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>M. Schneider</author>
    <author>G. Laplanche</author>
    <author>Kirill Yusenko</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Magnetism</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High-entropy alloys</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Reverse Monte Carlo (RMC)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Element-specific spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Extended X-ray absorption fine structure (EXAFS)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray absorption near edge structure (XANES)</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
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  <doc>
    <id>43348</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>25033</pageFirst>
    <pageLast>25042</pageLast>
    <pageNumber/>
    <edition/>
    <issue>45</issue>
    <volume>121</volume>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace/>
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    <contributingCorporation/>
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    <title language="eng">Spectroscopic Study of the Role of Metal Ions in the Adsorption Process of Phosphate in Nanoscaled Adsorbers Based on Metal (Zn/ Fe/Zr) Oxyhydroxides</title>
    <abstract language="eng">Currently great effort is made to find materials and technologies for the recycling of phosphate from wastewater.&#13;
Herein, we present an in-depth study of the Phosphate adsorption mechanism of a promising adsorber material, a Zn−Fe−Zr oxyhydroxide-based nanostructured precipitate. The behavior of the multicomponent nanomaterial, consisting of both crystalline and amorphous parts, is investigated via X-ray absorption fine structure spectroscopy and Mössbauer spectroscopy, revealing the importance of the nanostructured composition for the phosphate adsorption. We found evidence that adsorption takes place especially in the vicinity of iron sites in the amorphous part of the material.</abstract>
    <parentTitle language="eng">The Journal of Physical Chemistry C</parentTitle>
    <identifier type="doi">10.1021/acs.jpcc.7b04773</identifier>
    <identifier type="issn">1932-7447</identifier>
    <enrichment key="date_peer_review">07.12.2017</enrichment>
    <author>Wojciech Szczerba</author>
    <author>M. Schneider</author>
    <author>J. Żukrowski</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Heinrich Riesemeier</author>
    <author>M. Sikora</author>
    <author>K. Mandel</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Zn-Fe-Zr nanoparticles</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Adsorption of phosphate</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XAFS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Catalysis</value>
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  <doc>
    <id>63112</id>
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    <publishedYear>2025</publishedYear>
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    <pageFirst>12318</pageFirst>
    <pageLast>12330</pageLast>
    <pageNumber/>
    <edition/>
    <issue>14</issue>
    <volume>147</volume>
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    <publisherName>American Chemical Society (ACS)</publisherName>
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    <title language="eng">Extrinsic and Intrinsic Factors Governing the Electrochemical Oxidation of Propylene in Aqueous Solutions</title>
    <abstract language="eng">The electrochemical synthesis of commoditychemicals such as epoxides and glycols offers a sustainablealternative to conventional methods that involve hazardouschemicals. Efforts to improve the yield and selectivity of propyleneoxidation using Pd-based catalysts have been shown to be highlysensitive to applied potential, pH, and electrochemical cell design.Record efficiencies and yields were obtained by substitution ofPdO by 4d or 5d transition metals, including Pt, with thus far littlerationale regarding the origin for the improvement. Throughelectrochemical analysis, scanning transmission electron micros-copy, X-ray absorption spectroscopy, and surface-enhanced infraredabsorption spectroscopy, we investigated the mechanism ofpropylene oxidation on Pd-based catalysts. We demonstrate thatadsorbates forming on PdO, where Pd adopts a square-planar coordination [PdO4], differ from that forming on the surface ofoxidized metallic Pd catalysts with an oxo intermediate mediating propylene oxidation on PdO. We further show that Pt substitutionin PdO does not modify this oxo intermediate. Varying pH, we found that the onset for propylene oxidation is pH independent,indicating a potential-determining step where the proton is not involved in and similar reaction pathway in acidic and near-neutralconditions. Finally, our work undoubtedly demonstrates that high Faradaic efficiency toward propylene glycol and propylene oxideformation, such as those previously reported in the literature, can be achieved by means of electrode engineering and mastery ofmass transport and local pH. Notably, we achieved ≈100% faradaic efficiency for propylene glycol at 1.7 V vs RHE in acidic mediausing a Pt-substituted PdO catalyst loaded onto a gas diffusion electrode.</abstract>
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    <author>Tae Gyu Yun</author>
    <author>Boqiang Chen</author>
    <author>Sarah Wells</author>
    <author>Younghwan Lim</author>
    <author>Jun Seop Kim</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>Matthias M. Waegele</author>
    <author>Marcel Risch</author>
    <author>Alexis Grimaud</author>
    <subject>
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      <type>uncontrolled</type>
      <value>XAS</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Electrochemistry</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Popylene oxidation</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>4d metals</value>
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    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
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    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="themenfelder" number="">Material</collection>
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    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
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  <doc>
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    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
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    <type>lecture</type>
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    <title language="eng">The versatility of X-ray absorption spectroscopy (XAS) for exploring new materials in collaborative research</title>
    <abstract language="eng">From Physics Engineer at FCUL in Lisbon to senior scientist at the Federal Institute for Materials Research and Testing (BAM) in Berlin, Germany. In this seminar, a personal journey using X-rays as a tool to probe different types of materials will be given. Examples of applications relevant to our society demonstrate how versatile and useful X-rays are</abstract>
    <enrichment key="eventName">Forschungsseminar an der FCUL (Univesity of Lisbon)</enrichment>
    <enrichment key="eventPlace">Online meeting</enrichment>
    <enrichment key="eventStart">25.10.2024</enrichment>
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    <enrichment key="opus.source">publish</enrichment>
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    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Time-resolved studies</value>
    </subject>
    <subject>
      <language>por</language>
      <type>uncontrolled</type>
      <value>Operando</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Corrosion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Electrochemistry</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
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    <id>56259</id>
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    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
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    <pageNumber/>
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    <type>lecture</type>
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    <title language="eng">Time resolved in situ monitoring of mechanochemical transformations by X-ray absorption spectroscopy (XAS)</title>
    <abstract language="eng">Mechanochemical reactions promise a new direction for environmentally benign preparation of materials, and has been dubbed by IUPAC as one of the 10 chemical innovations that will change our world. Despite this significant promise, very little is known about the mechanisms that drive mechanochemical transformations, posing significant barriers to realizing their full potential. To this end, there is growing need to follow mechanochemical reactions in situ and in real time. We here describe advances in the development and application of XAS methods to monitor material synthesis in real time under mechanochemical conditions. We demonstrate the generality of our approaches by describing mechanochemical syntheses of materials by both vibratory ball milling and by Resonant Acoustic Mixing (RAM), where a time resolution of 1 second is for a whole XAS spectrum was achieved. Moreover, we describe how spectroscopic methods can be coupled to diffraction-based approaches, thereby providing new dimensions in understanding mechanochemical synthesis.</abstract>
    <enrichment key="eventName">Advances X ray Analytics Seminar at TU Berlin</enrichment>
    <enrichment key="eventPlace">Berlin, Germany</enrichment>
    <enrichment key="eventStart">14.06.2022</enrichment>
    <enrichment key="opus.source">publish</enrichment>
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    <enrichment key="InvitedTalks">0</enrichment>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Time resolved</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>42783</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>Article 1703158, 1</pageFirst>
    <pageLast>11</pageLast>
    <pageNumber/>
    <edition/>
    <issue>40</issue>
    <volume>27</volume>
    <type>article</type>
    <publisherName>WILEY-VCH Verlag</publisherName>
    <publisherPlace>Weinheim</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Hybrid organic–inorganic transition-metal phosphonates as precursors for water oxidation electrocatalysts</title>
    <abstract language="eng">Efficient water oxidation catalysts are required for the development of water splitting technologies. Herein, the synthesis of layered hybrid NiFephenylphosphonate compounds from metal acetylacetonate precursors and phenylphosphonic acid in benzyl alcohol, and their Oxygen evolution reaction performance in alkaline medium, are reported. The hybrid particles are formed by inorganic layers of NiO6 and FeO6 distorted octahedra separated by bilayers of the organic group, and template the Formation in situ of NiFe hydroxide nanosheets of sizes between 5 and 25 nm and thicknesses between 3 and 10 nm. X-ray absorption spectroscopy measurements suggest that the hybrid also acts as a template for the local structure of the metal sites in the active catalyst, which remain distorted after the transformation. Optimum electrocatalytic activity is achieved with the hybrid compound with a Fe content of 16%. The combination of the synergistic effect between Ni and Fe with the structural properties of the hybrid results in an efficient catalyst that generates a current density of 10 mA cm−2 at an overpotential of 240 mV, and also in a stable catalyst that operates continuously at low overpotentials for 160 h.</abstract>
    <parentTitle language="eng">Advanced Functional Materials</parentTitle>
    <identifier type="issn">1616-301X</identifier>
    <identifier type="issn">1616-3028</identifier>
    <identifier type="doi">10.1002/adfm.201703158</identifier>
    <enrichment key="date_peer_review">09.11.2017</enrichment>
    <author>Rui Zhang</author>
    <author>Patrícia A. Russo</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Taeyeol Jeon</author>
    <author>Nicola Pinna</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Water oxydation catalysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>EXAFS</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>60137</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>13</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>432</volume>
    <type>article</type>
    <publisherName>Elsevier B.V.</publisherName>
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    <belongsToBibliography>1</belongsToBibliography>
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    <title language="eng">Highly productive V/Zn-SiO2 catalysts for the selective oxidation of methane</title>
    <abstract language="eng">The production of formaldehyde on industrial scale requires huge amounts of energy due to the involvement of reforming processes in combination with the demand in the megaton scale. Hence, a direct route for the transformation of (bio)methane to formaldehyde would decrease costs and puts less pressure on the environment. Herein, we report on the use of zinc modified silicas as possible support materials for vanadium catalysts and the resulting consequences for the performance in the selective oxidation of methane to formaldehyde. After optimization of the Zn content and reaction conditions, a remarkably high space-time yield of 12.4 kgCH2O⋅kgcat − 1 ⋅h− 1 was achieved. As a result of the extensive characterization by means of UV–vis, Raman, XANES and NMR spectroscopy it was found that vanadium is in the vicinity of highly dispersed zinc atoms which promote the formation of active vanadium species as supposed by theoretical calculations. This work presents a further step of catalyst development towards direct industrial methane conversion which may help to overcome current limitations in the future.</abstract>
    <parentTitle language="eng">Catalysis Today</parentTitle>
    <identifier type="doi">10.1016/j.cattod.2024.114643</identifier>
    <identifier type="issn">0920-5861</identifier>
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    <title language="eng">Multi-technique computational assessment of fluoride uptake in enamel using PIGE, NEXAFS, and Raman spectroscopy</title>
    <abstract language="eng">This study explores F incorporation in enamel via PIGE, NEXAFS, and Raman spectroscopy, integrating experimental/simulated spectra. Machine Learning boosts data interpretation, offering key insights into F delivery for clinical application.</abstract>
    <parentTitle language="eng">Journal of Materials Chemistry B</parentTitle>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Sofia Pessanha</author>
    <author>António Fortes</author>
    <author>Marta B. Lopes</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Inés Ortega-Feliu</author>
    <author>Miguel A. Respaldiza</author>
    <author>Blanca Gomez Tubio</author>
    <author>Anna Makarova</author>
    <author>Dmitry Smirnov</author>
    <author>Sourabh Kumar</author>
    <author>António Mata</author>
    <author>João Silveira</author>
    <subject>
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      <type>uncontrolled</type>
      <value>Simulations</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Enamel</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fuorine</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>NEXAFS</value>
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    <file>https://opus4.kobv.de/opus4-bam/files/63113/pessanha et al_ 2025_JMC-B.pdf</file>
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    <title language="eng">Exploring new materials for Green Intelligent Building how can our BAMline help</title>
    <abstract language="eng">With increasing demand and environmental concerns, researchers are exploring new materials that can perform as well or better than traditional materials while reducing environmental impact. Synchrotron X-ray based methods enable unique tools to probe materials properties via e.g. X-ray spectroscopy and diffraction methods. The BAM plays a central role in this highly collaborative research.  The BAMline, a real-life sample materials research beamline, at the Berlin Synchrotron BESSY-II, provides unique insights into materials’ electronic and chemical structure at different time and length scales1. This enables real-time optimization of material properties and performance for various applications, such as energy storage and conversion, catalysis, and deterioration resistance.</abstract>
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    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
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      <type>uncontrolled</type>
      <value>XAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Time-resolved studies</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Binding materials</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cements</value>
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    <title language="eng">Time resolved in situ monitoring of mechanochemical transformations by X-ray absorption spectroscopy (XAS)</title>
    <abstract language="eng">Mechanochemical reactions promise a new direction for environmentally benign preparation of materials, and has been dubbed by IUPAC as one of the 10 chemical innovations that will change our world. Despite this significant promise, very little is known about the mechanisms that drive mechanochemical transformations, posing significant barriers to realizing their full potential. To this end, there is growing need to follow mechanochemical reactions in situ and in real time. We here describe advances in the development and application of XAS methods to monitor material synthesis in real time under mechanochemical conditions. We demonstrate the generality of our approaches by describing mechanochemical syntheses of materials by both vibratory ball milling and by Resonant Acoustic Mixing (RAM), where a time resolution of 1 second is for a whole XAS spectrum was achieved. Moreover, we describe how spectroscopic methods can be coupled to diffraction-based approaches, thereby providing new dimensions in understanding mechanochemical synthesis.</abstract>
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    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
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      <value>XAS</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemictry</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Time resolved</value>
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    <subject>
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      <value>In situ</value>
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    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
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    <completedYear/>
    <publishedYear>2017</publishedYear>
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    <title language="eng">S2XAFS: Time-resolved X-ray absorption spectroscopy in a ‘single-shot’ – First in situ applications</title>
    <abstract language="eng">The newly developed EXAFS set-up comprises both time- and spatially-resolved EXAFS information simultaneously in a single-shot. This facile, stable and scanningless set-up was tested at the BAMline @ BESSY-II (Berlin, Germany). The pri-mary broadband beam is generated by a filter/X-ray-mirror combination (bandpass). The transmitted beam through the sample is diffracted by a convexly bent Si (111) crystal, producing a divergent beam. This, in turn, is collected by an area sensitive detector, in a theta - 2 theta geometry. The first in situ measurements were successfully carried out and hereby presented. The case-study deals with research on Zn-based Metal-Organic-Frameworks (MOFs) that have potential for medi-cal/pharmaceutical applications. This hot topic of MOF research targets encapsulation of therapeutically relevant bio-macromolecules (e.g. Enzymes) for drug delivery applications. Questions regarding the influence of proteins on the coor-dination of Zn during MOF crystal growth and within the final MOF can be answered with this new setup. We were able to track structural changes within a 1s time resolution.</abstract>
    <enrichment key="eventName">CSI XL Conference</enrichment>
    <enrichment key="eventPlace">Pisa, Italy</enrichment>
    <enrichment key="eventStart">12.06.2017</enrichment>
    <enrichment key="eventEnd">16.06.2017</enrichment>
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    <author>Ana de Oliveira Guilherme Buzanich</author>
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      <language>eng</language>
      <type>uncontrolled</type>
      <value>Single-shot EXAFS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ characterization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Biomedical applications</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>34042</id>
    <completedYear/>
    <publishedYear>2015</publishedYear>
    <thesisYearAccepted/>
    <language>deu</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>poster</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="deu">´Single-shot´XANES with a Color X-ray Camera (CXC) at the BAMline (BESSY-II)</title>
    <parentTitle language="deu">XAFS 16</parentTitle>
    <identifier type="old">37170</identifier>
    <enrichment key="eventName">XAFS 16</enrichment>
    <enrichment key="eventPlace">Karlsruhe, Germany</enrichment>
    <enrichment key="eventStart">2015-08-24</enrichment>
    <enrichment key="eventEnd">2015-08-28</enrichment>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <collection role="fulltextaccess" number="">Weder Datei noch physisches Exemplar vorhanden ("No Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>38656</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>820</pageFirst>
    <pageLast>824</pageLast>
    <pageNumber/>
    <edition/>
    <issue>3</issue>
    <volume>23</volume>
    <type>article</type>
    <publisherName>International Union of Crystallography</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A setup for synchrotron-radiation-induced total reflection X-ray fluorescence and X-ray absorption near-edge structure recently commissioned at BESSY II BAMline</title>
    <abstract language="eng">An automatic sample changer chamber for total reflection X-ray fluorescence (TXRF) and X-ray absorption near-edge structure (XANES) analysis in TXRF geometry was successfully set up at the BAMline at BESSY II. TXRF and TXRF-XANES are valuable tools for elemental determination and speciation, especially where sample amounts are limited (&lt;1 mg) and concentrations are low (ng ml⁻¹ to μg ml⁻¹). TXRF requires a well defined geometry regarding the reflecting surface of a sample carrier and the synchrotron beam. The newly installed chamber allows for reliable sample positioning, remote sample changing and evacuation of the fluorescence beam path. The chamber was successfully used showing accurate determination of elemental amounts in the certified reference material NISTwater 1640. Low limits of detection of less than 100 fg absolute (10 pg ml⁻¹) for Ni were found. TXRF-XANES on different Re species was applied. An unknown species of Re was found to be Re in the +7 oxidation state.</abstract>
    <parentTitle language="eng">Journal of Synchrontron Radiation</parentTitle>
    <identifier type="doi">10.1107/S1600577516001995</identifier>
    <identifier type="issn">1600-5775</identifier>
    <enrichment key="date_peer_review">13.12.2016</enrichment>
    <author>U. Fittschen</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>S. Böttger</author>
    <author>D. Rosenberg</author>
    <author>M. Menzel</author>
    <author>W. Jensen</author>
    <author>M. Busker</author>
    <author>Z. Gotlib</author>
    <author>Martin Radtke</author>
    <author>Heinrich Riesemeier</author>
    <author>P. Wobrauschek</author>
    <author>C. Streli</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>TXRF</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>TXRF-XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sample changer</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BAMline</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Re-XANES</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Eigenverlag BAM</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>36081</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace>Cambridge</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Elemental bioimaging and speciation analysis for the investigation of Wilsons disease using μXRF and XANES</title>
    <abstract language="eng">A liver biopsy specimen from a Wilson’s disease (WD) patient was analyzed by means of micro-X-ray fluorescence (mXRF) spectroscopy to determine the elemental distribution. First, bench-top mXRF was utilized for a coarse scan of the sample under laboratory conditions. The resulting distribution maps of copper and iron enabled the determination of a region of interest (ROI) for further analysis. In order to obtain more detailed elemental information, this ROI was analyzed by synchrotron radiation (SR)-based mXRF with a beam size of 4 mm offering a resolution at the cellular level. Distribution maps of additional elements to copper and iron like zinc and manganese were obtained due to a higher sensitivity of SR-mXRF. In addition to this, X-ray absorption near edge structure spectroscopy (XANES) was performed to identify the oxidation states of copper in WD. This speciation analysis indicated a mixture of copper(I) and copper(II) within the WD liver tissue.</abstract>
    <parentTitle language="eng">Metallomics</parentTitle>
    <identifier type="doi">10.1039/C6MT00001K</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-360811</identifier>
    <identifier type="issn">1756-5901</identifier>
    <identifier type="issn">1756-591X</identifier>
    <enrichment key="date_peer_review">05.08.2016</enrichment>
    <licence>Creative Commons - Namensnennung 3.0</licence>
    <author>O. Hachmöller</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>M. Aichler</author>
    <author>Martin Radtke</author>
    <author>D. Dietrich</author>
    <author>K. Schwamborn</author>
    <author>L. Lutz</author>
    <author>M. Werner</author>
    <author>M. Sperling</author>
    <author>A. Walch</author>
    <author>U. Karst</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>progressive hepatolenticular degeneration</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>mXRF Micro-X-ray fluorescence spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XANES X-ray absorption near edge structure spectroscopy</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/36081/Hachmoeller_Elemental bioimaging and speciation analysis.pdf</file>
  </doc>
  <doc>
    <id>39194</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>307</pageFirst>
    <pageLast>311</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>24</volume>
    <type>article</type>
    <publisherName>International Union of Crystallography</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Synchrotron radiation micro X-ray fluorescence spectroscopy of thin structures in bone samples: comparison of confocal and color X-ray camera setups</title>
    <abstract language="eng">In the quest for finding the ideal synchrotron-radiation-induced imaging method for the investigation of trace element distributions in human bone samples, experiments were performed using both a scanning confocal synchrotron radiation micro X-ray fluorescence (SR-mXRF) (FLUO beamline at ANKA) setup and a full-field color X-ray camera (BAMline at BESSY-II) setup. As zinc is a trace element of special interest in bone, the setups were optimized for its detection. The setups were compared with respect to count rate, required measurement time and spatial resolution. It was demonstrated that the ideal method depends on the element of interest. Although for Ca (a major constituent of the bone with a low energy of 3.69 keV for its K alpha XRF line) the color X-ray camera provided a higher resolution in the plane, for Zn (a trace element in bone) only the confocal SR-µXRF setup was able to sufficiently image the distribution.</abstract>
    <parentTitle language="eng">Journal of Synchrotron Radiation</parentTitle>
    <identifier type="doi">10.1107/S1600577516017057</identifier>
    <identifier type="issn">1600-5775</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-391944</identifier>
    <enrichment key="date_peer_review">20.02.2017</enrichment>
    <licence>Creative Commons - Namensnennung 3.0</licence>
    <author>M. Rauwolf</author>
    <author>A. Turyanskaya</author>
    <author>A. Roschger</author>
    <author>J. Prost</author>
    <author>R. Simon</author>
    <author>O. Scharf</author>
    <author>Martin Radtke</author>
    <author>Tom Schoonjans</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>K. Klaushofer</author>
    <author>P. Wobrauschek</author>
    <author>J. G. Hofstaetter</author>
    <author>P. Roschger</author>
    <author>C. Streli</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synchrotron</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BAMline</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BESSY</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XRF</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray Color Camera</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/39194/JSR2017_Bones.pdf</file>
  </doc>
  <doc>
    <id>55723</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>16</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Wiley</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Mono-, Di-, and Tri-valent Cation Doped BiFe0.95Mn0.05O3 Nanoparticles: Ferroelectric Photocatalysts</title>
    <abstract language="eng">The ferroelectricity of multivalent co-doped Bismuth ferrite (BiFeO3; BFO) nanoparticles (NPs) is revealed and utilized for light photocatalysis exploiting their narrow electronic band gap. The photocatalytic activity of ferroelectric photocatalysts BiFe0.95Mn0.05O3 (BFM) NPs and mono-, di-, or tri-valent cations (Ag+, Ca2+, Dy3+; MDT) co-incorporated BFM NPs are studied under ultrasonication and in acidic conditions. We find that such doping enhances the photocatalytic activity of the ferroelectric NPs approximately three times. The correlation of the photocatalytic activity with structural, optical, and electrical properties of the doped NPs is established. The increase of spontaneous polarization by the mono- and tri-valent doping is one of the major factors in enhancing the photocatalytic performance along with other factors such as stronger light absorption in the visible range, low recombination rate of charge carriers and larger surface area of NPs. A-site doping of BFO NPs by divalent elements suppresses the polarization, whereas trivalent (Dy3+) and monovalent (Ag+) cations provide an increase of polarization. The depolarization field in these single domain NPs acts as a driving force to mitigate recombination of the photoinduced charge carriers.</abstract>
    <parentTitle language="eng">Advanced Functional Materials</parentTitle>
    <identifier type="doi">10.1002/adfm.202207105</identifier>
    <identifier type="issn">1616-301X</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-557230</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">19.09.2022</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International</licence>
    <author>A. Dubey</author>
    <author>C. Hon Keat</author>
    <author>V. Shvartsman</author>
    <author>Kirill Yusenko</author>
    <author>M. Escobar</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>U. Hagemann</author>
    <author>S. Kovalenko</author>
    <author>J. Stächler</author>
    <author>D. Lupascu</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Piezoresponse</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bismuth Ferrite</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticles</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Photocatalysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ferroelectric</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polarization</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/55723/Adv Funct Materials - 2022 - Dubey.pdf</file>
  </doc>
  <doc>
    <id>56243</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1376</pageFirst>
    <pageLast>1384</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>29</volume>
    <type>article</type>
    <publisherName>International Union of Crystallography</publisherName>
    <publisherPlace>Chester</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Investigation of polycapillary half lenses for quantitative confocal micro-X-ray fluorescence analysis</title>
    <abstract language="eng">The use of polycapillary optics in confocal micro-X-ray fluorescence analysis (CMXRF) enables the destruction-free 3D investigation of the elemental composition of samples. The energy-dependent transmission properties, concerning intensity and spatial beam propagation of three polycapillary half lenses, which are vital for the quantitative interpretation of such CMXRF measurements, are investigated in a monochromatic confocal laboratory setup at the Atominstitut of TU Wien, and a synchrotron setup on the BAMline beamline at the BESSY II Synchrotron, Helmholtz-Zentrum-Berlin. The empirically established results, concerning the intensity of the transmitted beam, are compared with theoretical values calculated with the polycap software package and a newly presented analytical model for the transmission function. &#13;
The resulting form of the newly modelled energy-dependent transmission function is shown to be in good agreement with Monte Carlo simulated results for the complete energy regime, as well as the empirically established results for the energy regime between 6 keV and 20 keV. An analysis of possible fabrication errors was conducted via pinhole scans showing only minor fabrication errors in two of the investigated polycapillary optics. The energy-dependent focal spot size of the primary polycapillary was investigated in the laboratory via the channel-wise evaluation of knife-edge scans. Experimental results are compared with data given by the manufacturer as well as geometric estimations for the minimal focal spot size. Again, the resulting measurement points show a trend in agreement with geometrically estimated results and manufacturer data.</abstract>
    <parentTitle language="eng">Journal of synchrotron radiation</parentTitle>
    <identifier type="doi">10.1107/S1600577522009699</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-562430</identifier>
    <identifier type="issn">1600-5775</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">14.11.2022</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>M. Iro</author>
    <author>D. Ingerle</author>
    <author>Martin Radtke</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>P. Kregsamer</author>
    <author>C. Streli</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BAMline</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synchrotron</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Capillary</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>confocal</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/56243/JSR2022confocal.pdf</file>
  </doc>
  <doc>
    <id>60833</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>12</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>14</volume>
    <type>article</type>
    <publisherName>Springer Science and Business Media LLC</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Effect of iodine species on biofortification of iodine in cabbage plants cultivated in hydroponic cultures</title>
    <abstract language="eng">Iodine is an essential trace element in the human diet because it is involved in the synthesis of thyroid hormones. Iodine deficiency affects over 2.2 billion people worldwide, making it a significant challenge to find plant-based sources of iodine that meet the recommended daily intake of this trace element. In this study, cabbage plants were cultivated in a hydroponic system containing iodine at concentrations ranging from 0.01 to 1.0 mg/L in the form of potassium iodide or potassium iodate. During the experiments, plant physiological parameters, biomass production, and concentration changes of iodine and selected microelements in different plant parts were investigated. In addition, the oxidation state of the accumulated iodine in root samples was determined. Results showed that iodine addition had no effect on photosynthetic efficiency and chlorophyll content. Iodide treatment did not considerably stimulate biomass production but iodate treatment increased it at concentrations less than 0.5 mg/L. Increasing iodine concentrations in the nutrient solutions increased iodine content in all plant parts; however, the iodide treatment was 2–7 times more efficient than the iodate treatment. It was concluded, that iodide addition was more favourable on the target element accumulation, however, it should be highlighted that application of this chemical form in nutrient solution decreased the concetrations of selected micoelement concentration comparing with the control plants. It was established that iodate was reduced to iodide during its uptake in cabbage roots, which means that independently from the oxidation number of iodine (+ 5, − 1) applied in the nutrient solutions, the reduced form of target element was transported to the aerial and edible tissues.</abstract>
    <parentTitle language="eng">Scientific Reports</parentTitle>
    <identifier type="doi">10.1038/s41598-024-66575-z</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-608330</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
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Iodine deficiency affects over 2.2 billion people worldwide, making it a significant challenge to find plant-based sources of iodine that meet the recommended daily intake of this trace element. In this study, cabbage plants were cultivated in a hydroponic system containing iodine at concentrations ranging from 0.01 to 1.0\u00a0mg\/L in the form of potassium iodide or potassium iodate. During the experiments, plant physiological parameters, biomass production, and concentration changes of iodine and selected microelements in different plant parts were investigated. In addition, the oxidation state of the accumulated iodine in root samples was determined. Results showed that iodine addition had no effect on photosynthetic efficiency and chlorophyll content. Iodide treatment did not considerably stimulate biomass production but iodate treatment increased it at concentrations less than 0.5\u00a0mg\/L. Increasing iodine concentrations in the nutrient solutions increased iodine content in all plant parts; however, the iodide treatment was 2\u20137 times more efficient than the iodate treatment. It was concluded, that iodide addition was more favourable on the target element accumulation, however, it should be highlighted that application of this chemical form in nutrient solution decreased the concetrations of selected micoelement concentration comparing with the control plants. It was established that iodate was reduced to iodide during its uptake in cabbage roots, which means that independently from the oxidation number of iodine (+\u20095, \u2212\u20091) applied in the nutrient solutions, the reduced form of target element was transported to the aerial and edible tissues.&lt;\/jats:p&gt;","DOI":"10.1038\/s41598-024-66575-z","type":"journal-article","created":{"date-parts":[[2024,7,9]],"date-time":"2024-07-09T11:14:42Z","timestamp":1720523682000},"update-policy":"http:\/\/dx.doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Effect of iodine species on biofortification of iodine in cabbage plants cultivated in hydroponic cultures"],"prefix":"10.1038","volume":"14","author":[{"given":"P\u00e9ter","family":"Dobosy","sequence":"first","affiliation":[]},{"given":"Hoang Thi Phuong","family":"Nguyen","sequence":"additional","affiliation":[]},{"given":"Gyula","family":"Z\u00e1ray","sequence":"additional","affiliation":[]},{"given":"Christina","family":"Streli","sequence":"additional","affiliation":[]},{"given":"Dieter","family":"Ingerle","sequence":"additional","affiliation":[]},{"given":"Philipp","family":"Ziegler","sequence":"additional","affiliation":[]},{"given":"Martin","family":"Radtke","sequence":"additional","affiliation":[]},{"given":"Ana Guilherme","family":"Buzanich","sequence":"additional","affiliation":[]},{"given":"Anett","family":"Endr\u00e9di","sequence":"additional","affiliation":[]},{"given":"Ferenc","family":"Fodor","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2024,7,9]]},"reference":[{"key":"66575_CR1","doi-asserted-by":"publisher","first-page":"286","DOI":"10.1016\/S2213-8587(14)70225-6","volume":"3","author":"MB Zimmermann","year":"2015","unstructured":"Zimmermann, M. 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    <author>Péter Dobosy</author>
    <author>Hoang Thi Phuong Nguyen</author>
    <author>Gyula Záray</author>
    <author>Christina Streli</author>
    <author>Dieter Ingerle</author>
    <author>Philipp Ziegler</author>
    <author>Martin Radtke</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Anett Endrédi</author>
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      <value>XANES</value>
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      <value>Synchrotron</value>
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      <language>eng</language>
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      <value>Lodine</value>
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    <title language="eng">Deterioration mechanism of alkali-activated materials in sulfuric acid and the influence of Cu: A micro-to-nano structural, elemental and stable isotopic multi-proxy study</title>
    <abstract language="eng">In this study, a multi-proxy approach combining 29Si, 27Al and 1H MAS-NMR, FEG-EPMA, XANES at the Cu K-edge and XRD analytics with hydrochemical tools such as ICP-OES analyses, oxygen-isotope signatures, and thermodynamic modelling was applied to K-silicate-activated metakaolin specimens - with and without CuSO4·5H2O addition - exposed to sulfuric acid at pH = 2 for 35 days. The results revealed a multistage deterioration mechanism governed by (i) acid diffusion, (ii) leaching of K-A-S-H, (iii) microstructural damage related to precipitation of expansive (K,Ca,Al)-sulfate-hydrate phases (iv) complete dissolution of the K-A-S-H framework, (v) and formation of silica gel in the outermost corroded regions. Copper ions were mainly located in layered spertiniite-chrysocolla-like phases in the as-cured materials. The results demonstrate an overall negative effect of Cu addition on chemical material durability, implying that the reported higher durability of Cu-doped AAM in biocorrosion environments can be best explained by bacteriostatic effects.</abstract>
    <parentTitle language="eng">Cement and concrete research</parentTitle>
    <identifier type="issn">0008-8846</identifier>
    <identifier type="doi">10.1016/j.cemconres.2021.106373</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-520567</identifier>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>C. Grengg</author>
    <author>Gregor Gluth</author>
    <author>F. Mittermayr</author>
    <author>N. Ukrainczyk</author>
    <author>M. Bertmer</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>A. Leis</author>
    <author>M. Dietzel</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Alkali-activated materials</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Acid resistance</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microbially induced corrosion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
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    <title language="eng">Following Adsorbed Intermediates on a Platinum Gas Diffusion Electrode in H&lt;sub&gt;3&lt;/sub&gt;PO&lt;sub&gt;3&lt;/sub&gt;-Containing Electrolytes Using In Situ X-ray Absorption Spectroscopy</title>
    <abstract language="eng">One of the challenges of high-temperature polymer electrolyte membrane fuel cells is the poisoning of the Pt catalystwith H3PO4. H3PO4 is imbibed into the routinely used polybenzimidazole-based membranes, which facilitate Proton conductivity in the temperature range of 120−200 °C. However, when leached out of the membrane by water produced during operation, H3PO4 adsorbs on the Pt catalyst surface, blocking the active sites and hindering the oxygen reduction reaction (ORR).&#13;
The reduction of H3PO4 to H3PO3, which occurs at the anode due to a combination of a low potential and the presence of gaseous H2, has been investigated as an additional important contributing factor to the observed poisoning effect. H3PO3 has an affinity toward adsorption on Pt surfaces even greater than that of H2PO4 −. In this work, we investigated the poisoning effect of both H3PO3 and H3PO4 using a half-cell setup with a gas diffusion electrode under ambient conditions. By means of in situ X-ray absorption spectroscopy, it was possible to follow the signature of different species adsorbed on the Pt nanoparticle catalyst (H, O, H2PO4 −, and H3PO3) at different potentials under ORR conditions in various electrolytes (HClO4, H3PO4, and H3PO3). It was found that H3PO3 adsorbs in a pyramidal configuration P(OH)3 through a Pt−P bond. The competition between H3PO4 and H3PO3 adsorption was studied, which should allow for a better understanding of the catalyst poisoning mechanism and thus assist in the development of strategies to mitigate this phenomenon in the future by minimizing H3PO3 generation by, for example, improved catalyst design or adapted operation conditions or changes in the electrolyte composition.</abstract>
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    <author>Bruna F. Gomes</author>
    <author>Martin Prokop</author>
    <author>Tomas Bystron</author>
    <author>Rameshwori Loukrakpam</author>
    <author>Julia Melke</author>
    <author>Carlos M. S. Lobo</author>
    <author>Michael Fink</author>
    <author>Mengshu Zhu</author>
    <author>Elena Voloshina</author>
    <author>Maximilian Kutter</author>
    <author>Hendrik Hoffmann</author>
    <author>Kirill V. Yusenko</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Bettina Röder</author>
    <author>Karel Bouzek</author>
    <author>Beate Paulus</author>
    <author>Christina Roth</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>H3PO4 life cycle</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ coupling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High-temperature fuel cells</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>H3PO3,</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Δμ XANES</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
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    <issue>2</issue>
    <volume>35</volume>
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    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace>Cambridge</publisherPlace>
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    <title language="eng">On the way to full-field X-ray fluorescence spectroscopy imaging with coded apertures</title>
    <abstract language="eng">Imaging with X-rays is a challenging field, due to the optical properties of X-rays. The fabrication of appropriate optics is usually expensive and requires an elaborate manufacturing process. One simpler and less expensive possibility of imaging high energy radiation is coded aperture imaging, a technique well established in astrophysics and also used in nuclear medicine or radiation detection, e.g., for nuclear decommissioning. Our aim is to adapt coded aperture imaging for X-ray fluorescence spectroscopy in the nearfield. In this work we show theoretical considerations and preliminary simulations of Image formation through a coded aperture and three different reconstruction methods to prepare the experiments. We used a new mask based on an inverted modified uniformly redundant array (MURA) that could be used for the construction of a decoding mask for all investigated geometrical arrangements.&#13;
The most commonly used reconstruction method, convoluting the detected image with a Decoding mask, does not always deliver satisfactory results. This is more noticeable for small distances between the object, mask and detector. Hence, we developed two new reconstruction methods, one based on iterative algebraic optimization and another one based on a genetic algorithm. Both show good performance even in those cases where the convolution method fails. This provides a basis for further investigations of the ideal parameters for near field coded aperture imaging and refinements of the algorithms. We performed first measurements with a coded aperture at the BAMline at BESSY II and could successfully reconstruct a test object from the obtained recorded images.</abstract>
    <parentTitle language="eng">Journal of Analytical Atomic Spectrometry</parentTitle>
    <identifier type="doi">10.1039/c9ja00232d</identifier>
    <enrichment key="date_peer_review">05.03.2020</enrichment>
    <author>Anicó Kulow</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Uwe Reinholz</author>
    <author>C. Streli</author>
    <author>Martin Radtke</author>
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      <value>X-ray fluorescence spectroscopy</value>
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    <subject>
      <language>eng</language>
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      <value>Coded aperture</value>
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    <subject>
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      <value>Imaging</value>
    </subject>
    <subject>
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      <type>uncontrolled</type>
      <value>Iterative reconstruction</value>
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  </doc>
  <doc>
    <id>51723</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>331</pageFirst>
    <pageLast>334</pageLast>
    <pageNumber/>
    <edition/>
    <issue>2</issue>
    <volume>17</volume>
    <type>article</type>
    <publisherName>Royal Scociety of Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Observation of early ZIF-8 crystallization stages with X-ray absorption spectroscopy</title>
    <abstract language="eng">The present study investigates early stages of ZIF-8 crystallization up to 5 minutes post mixing of precursor solutions. Dispersive X-ray Absorption Spectroscopy (DXAS) provides a refined understanding of the evolution of the coordination environment during ZIF-8 crystallization. Linear Combination Fiting (LCF) suggests tetrakis(1-methylimidazole)zinc2+ to be a suitable and stable mononuclear structure analogue for some early stage ZIF-8 intermediates. Our results pave the way for more detailed studies on physico-chemical aspects of ZIF-8 crystallization to better control tailoring ZIF-8 materials for specific applications.</abstract>
    <parentTitle language="eng">Soft Matter</parentTitle>
    <identifier type="doi">10.1039/D0SM01356K</identifier>
    <identifier type="issn">1744-6848</identifier>
    <enrichment key="date_peer_review">28.12.2020</enrichment>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Anicó Kulow</author>
    <author>Anke Kabelitz</author>
    <author>C. Grunewald</author>
    <author>R. Seidel</author>
    <author>Ander Chapartegui-Arias</author>
    <author>Martin Radtke</author>
    <author>Uwe Reinholz</author>
    <author>Franziska Emmerling</author>
    <author>S. Beyer</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In-situ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>ZIF-8</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>53066</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>4845</pageFirst>
    <pageLast>4858</pageLast>
    <pageNumber/>
    <edition/>
    <issue>6</issue>
    <volume>15</volume>
    <type>article</type>
    <publisherName>Springer</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Al-driven peculiarities of local coordination and magnetic properties in single-phase Alx-CrFeCoNi high-entropy alloys</title>
    <abstract language="eng">Modern design of superior multi-functional alloys composed of several principal components requires in-depth studies of their local structure for developing desired macroscopic properties. Herein, peculiarities of atomic arrangements on the local scale and electronic states of constituent elements in the single-phase face-centered cubic (fcc)- and body-centered cubic (bcc)-structured high-entropy Alx-CrFeCoNi alloys (x = 0.3 and 3, respectively) are explored by element-specific X-ray absorption spectroscopy in hard and soft X-ray energy ranges. Simulations based on the reverse Monte Carlo approach allow to perform a simultaneous fit of extended X-ray absorption fine structure spectra recorded at K absorption edges of each 3d constituent and to reconstruct the local environment within the first coordination shells of absorbers with high precision. The revealed unimodal and bimodal distributions of all five elements are in agreement with structure-dependent magnetic properties of studied alloys probed by magnetometry. A degree of surface atoms oxidation uncovered by soft X-rays suggests different kinetics of oxide formation for each type of constituents and has to be taken into account. X-ray magnetic circular dichroism technique employed at L2,3 absorption edges of transition metals demonstrates reduced magnetic moments of 3d metal constituents in the sub-Surface region of in situ cleaned fcc-structured Al0.3-CrFeCoNi compared to their bulk values. Extended to nanostructured versions of multicomponent alloys, such studies would bring new insights related to effects of high entropy mixing on low dimensions.</abstract>
    <parentTitle language="eng">Nano Research</parentTitle>
    <identifier type="doi">10.1007/s12274-021-3704-5</identifier>
    <identifier type="issn">1998-0124</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-530668</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">09.08.2021</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>A. Smekhova</author>
    <author>A. Kuzmin</author>
    <author>K. Siemensmeyer</author>
    <author>C. Luo</author>
    <author>K. Chen</author>
    <author>F. Radu</author>
    <author>E. Weschke</author>
    <author>Uwe Reinholz</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Kirill Yusenko</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray magnetic circular dichroism (XMCD)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High-entropy alloys</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Reverse Monte Carlo</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Magnetism</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Element-specific spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Extended X-ray absorption fine structure (EXAFS)</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/53066/Smekhova2021_Article_Al-drivenPeculiaritiesOfLocalC_NanoResearch.pdf</file>
  </doc>
  <doc>
    <id>53067</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>576</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>8</issue>
    <volume>11</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Characterization of Dimeric Vanadium Uptake and Species in Nafion™ and Novel Membranes from Vanadium Redox Flow Batteries Electrolytes</title>
    <abstract language="eng">A core component of energy storage systems like vanadium redox flow batteries (VRFB) is the polymer electrolyte membrane (PEM). In this work, the frequently used perfluorosulfonic-acid (PFSA) membrane Nafion™ 117 and a novel poly (vinylidene difluoride) (PVDF)-based Membrane are investigated. A well-known problem in VRFBs is the vanadium permeation through the membrane. The consequence of this so-called vanadium crossover is a severe loss of capacity. For a&#13;
better understanding of vanadium transport in membranes, the uptake of vanadium ions from electrolytes containing Vdimer(IV–V) and for comparison also V(II), V(III), V(IV), and V(V) by both membranes was studied. UV/VIS spectroscopy, X-ray absorption near edge structure spectroscopy (XANES), total reflection X-ray fluorescence spectroscopy (TXRF), inductively coupled plasma optical emission spectrometry (ICP-OES), and micro X-ray fluorescence spectroscopy (microXRF) were used to determine the vanadium concentrations and the species inside the membrane. The results strongly support that Vdimer(IV–V), a dimer formed from V(IV) and V(V), enters the nanoscopic water-body of Nafion™ 117 as such. This is interesting, because as of now, only the individual ions V(IV) and V(V) were considered to be transported through the membrane. Additionally, it was found that the Vdimer(IV–V) dimer partly dissociates to the individual ions in the novel PVDF-based membrane.&#13;
The Vdimer(IV–V) dimer concentration in Nafion™ was determined and compared to those of the other species. After three days of equilibration time, the concentration of the dimer is the lowest compared to the monomeric vanadium species. The concentration of vanadium in terms of the relative uptake λ = n(V)/n(SO3&#13;
) are as follows: V(II) [λ = 0.155] &gt; V(III) [λ = 0.137] &gt; V(IV) [λ = 0.124] &gt; V(V) [λ = 0.053] &gt; Vdimer(IV–V) [λ = 0.039]. The results show that the Vdimer(IV–V) dimer Needs to be considered in addition to the other monomeric species to properly describe the transport of vanadium through Nafion™ in VRFBs.</abstract>
    <parentTitle language="eng">Membranes</parentTitle>
    <identifier type="doi">10.3390/membranes11080576</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-530676</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">21.09.2021</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>C. Lutz</author>
    <author>M. Breuckmann</author>
    <author>S. Hampel</author>
    <author>M. Kreyenschmidt</author>
    <author>X. Ke</author>
    <author>S. Beuermann</author>
    <author>K. Schafner</author>
    <author>T. Turek</author>
    <author>U. Kunz</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>U. E. A. Fittschen</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MicroXRF</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>VRFB</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>PVDF-based membrane</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>UV/VIS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>TXRF</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>ICP-OES</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/53067/membranes-11-00576-v2.pdf</file>
  </doc>
  <doc>
    <id>53120</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>10</pageLast>
    <pageNumber/>
    <edition/>
    <issue>3</issue>
    <volume>51</volume>
    <type>article</type>
    <publisherName>John Wiley &amp; Sons Ltd</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Recent developments of X-ray absorption spectroscopy as analytical tool for biological and biomedical applications</title>
    <abstract language="eng">X-ray absorption spectroscopy (XAS), in its various modalities, has gained exponential attention and applicability in the field of biological and biomedical systems. Particularly in this field, challenges like low concentration of analyte or proneness to radiation damage have certainly settle the basis for further analytical developments, when using X-ray based methods. Low concentration calls for higher sensitivity—by increasing the detection limits (DL); while susceptibility for radiation damage requires shorter measurement times and/or cryogenic sample environment possibilities. This manuscript reviews the latest analytical possibilities that make XAS more and more adequate to investigate biological or biomedical systems in the last 5 years.</abstract>
    <parentTitle language="eng">X-Ray Spectrometry</parentTitle>
    <identifier type="doi">10.1002/xrs.3254</identifier>
    <identifier type="issn">0049-8246</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-531206</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">19.08.2021</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Biological &amp; biomedical applications</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>TXRF-XAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>HERFD-XAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>RXES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Quick-XAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dispersive-XAS</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/53120/xrs.3254_AGuilhermeBuzanich2021.pdf</file>
  </doc>
  <doc>
    <id>59767</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>16</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Royal Society of Chemistry (RSC)</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Stabilization of intermediate Mo oxidation states by Nb doping enhancing methane aromatization on Mo/HZSM-5 catalysts</title>
    <abstract language="eng">The dehydroaromatization of methane is a promising process to produce aromatics and ultra-pure hydrogen. Increased yields and stability of Mo/HZSM-5 against irreversible deactivation were achieved via a redox interaction by doping with otherwise inert Nb.</abstract>
    <parentTitle language="eng">Journal of Materials Chemistry A</parentTitle>
    <identifier type="doi">10.1039/D3TA07532J</identifier>
    <identifier type="issn">2050-7488</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-597670</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
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    <author>Stefan Peters</author>
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    <title language="eng">Anomalies in the short-range local environment and atomic diffusion in single crystalline equiatomic CrMnFeCoNi high-entropy alloy</title>
    <abstract language="eng">AbstractMulti-edge extended X-ray absorption fine structure (EXAFS) spectroscopy combined with reverse Monte Carlo (RMC) simulations was used to probe the details of element-specific local coordinations and component-dependent structure relaxations in single crystalline equiatomic CrMnFeCoNi high-entropy alloy as a function of the annealing temperature. Two representative states, namely a high-temperature state, created by annealing at 1373 K, and a low-temperature state, produced by long-term annealing at 993 K, were compared in detail. Specific features identified in atomic configurations of particular principal components indicate variations in the local environment distortions connected to different degrees of compositional disorder at the chosen representative temperatures. The detected changes provide new atomistic insights and correlate with the existence of kinks previously observed in the Arrhenius dependencies of component diffusion rates in the CrMnFeCoNi high-entropy alloy.</abstract>
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Two representative states, namely a high-temperature state, created by annealing at 1373 K, and a low-temperature state, produced by long-term annealing at 993 K, were compared in detail. Specific features identified in atomic configurations of particular principal components indicate variations in the local environment distortions connected to different degrees of compositional disorder at the chosen representative temperatures. The detected changes provide new atomistic insights and correlate with the existence of kinks previously observed in the Arrhenius dependencies of component diffusion rates in the CrMnFeCoNi high-entropy alloy.\n&lt;\/jats:p&gt;","DOI":"10.1007\/s12274-024-6443-6","type":"journal-article","created":{"date-parts":[[2024,2,27]],"date-time":"2024-02-27T03:02:11Z","timestamp":1709002931000},"update-policy":"http:\/\/dx.doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Anomalies in the short-range local environment and atomic diffusion in single crystalline equiatomic CrMnFeCoNi high-entropy alloy"],"prefix":"10.1007","author":[{"given":"Alevtina","family":"Smekhova","sequence":"first","affiliation":[]},{"given":"Daniel","family":"Gaertner","sequence":"additional","affiliation":[]},{"given":"Alexei","family":"Kuzmin","sequence":"additional","affiliation":[]},{"given":"Ana Guilherme","family":"Buzanich","sequence":"additional","affiliation":[]},{"given":"Goetz","family":"Schuck","sequence":"additional","affiliation":[]},{"given":"Ivo","family":"Zizak","sequence":"additional","affiliation":[]},{"given":"Gerhard","family":"Wilde","sequence":"additional","affiliation":[]},{"given":"Kirill V.","family":"Yusenko","sequence":"additional","affiliation":[]},{"given":"Sergiy","family":"Divinski","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2024,2,27]]},"reference":[{"key":"6443_CR1","doi-asserted-by":"publisher","first-page":"213","DOI":"10.1016\/j.msea.2003.10.257","volume":"375\u2013377","author":"B Cantor","year":"2004","unstructured":"Cantor, B.; Chang, I. T. H.; Knight, P.; Vincent, A. J. B. Microstructural development in equiatomic multicomponent alloys. Mater. Sci. Eng. A 2004, 375-377, 213\u2013218","journal-title":"Mater. Sci. Eng. A"},{"key":"6443_CR2","doi-asserted-by":"publisher","first-page":"299","DOI":"10.1002\/adem.200300567","volume":"6","author":"J W Yeh","year":"2004","unstructured":"Yeh, J. W.; Chen, S. K.; Lin, S. J.; Gan, J. Y.; Chin, T. S.; Shun, T. T.; Tsau, C. H.; Chang, S. Y. Nanostructured high-entropy alloys with multiple principal elements: Novel alloy design concepts and outcomes. Adv. Eng. Mater. 2004, 6, 299\u2013303.","journal-title":"Adv. Eng. Mater."},{"key":"6443_CR92","doi-asserted-by":"publisher","first-page":"189","DOI":"10.1016\/j.jallcom.2017.05.175","volume":"719","author":"N Park","year":"2017","unstructured":"Park, N.; Lee, B. J.; Tsuji, N. The phase stability of equiatomic CoCrFeMnNi high-entropy alloy: Comparison between experiment and calculation results. J. Alloys Compd. 2017, 719, 189\u2013193.","journal-title":"J. Alloys Compd."},{"key":"6443_CR93","doi-asserted-by":"publisher","first-page":"464","DOI":"10.1016\/j.matchar.2018.06.019","volume":"147","author":"Y Ikeda","year":"2019","unstructured":"Ikeda, Y.; Grabowski, B.; K\u00f6rmann, F. Ab initio phase stabilities and mechanical properties of multicomponent alloys: A comprehensive review for high entropy alloys and compositionally complex alloys. Mater. Charact. 2019, 147, 464\u2013511","journal-title":"Mater. Charact."}],"container-title":["Nano Research"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s12274-024-6443-6.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1007\/s12274-024-6443-6\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1007\/s12274-024-6443-6.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,3,2]],"date-time":"2024-03-02T15:15:48Z","timestamp":1709392548000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1007\/s12274-024-6443-6"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,2,27]]},"references-count":93,"alternative-id":["6443"],"URL":"http:\/\/dx.doi.org\/10.1007\/s12274-024-6443-6","relation":{},"ISSN":["1998-0124","1998-0000"],"issn-type":[{"value":"1998-0124","type":"print"},{"value":"1998-0000","type":"electronic"}],"subject":["Electrical and Electronic Engineering","General Materials Science","Condensed Matter Physics","Atomic and Molecular Physics, and Optics"],"published":{"date-parts":[[2024,2,27]]},"assertion":[{"value":"27 September 2023","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"27 November 2023","order":2,"name":"revised","label":"Revised","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"22 December 2023","order":3,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"27 February 2024","order":4,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}}]}}</enrichment>
    <enrichment key="local_crossrefDocumentType">journal-article</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">27.03.2024</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Alevtina Smekhova</author>
    <author>Daniel Gaertner</author>
    <author>Alexei Kuzmin</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Goetz Schuck</author>
    <author>Ivo Zizak</author>
    <author>Gerhard Wilde</author>
    <author>Kirill Yusenko</author>
    <author>Sergiy Divinski</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Electrical and Electronic Engineering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>General Materials Science</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Condensed Matter Physics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Atomic and Molecular Physics, and Optics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>CCMat</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/59768/Anomalies CrMnFeCoNi high entropy alloy.pdf</file>
  </doc>
  <doc>
    <id>54711</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2103328</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>5</issue>
    <volume>12</volume>
    <type>article</type>
    <publisherName>Wiley-VCH GmbH</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Determining Structure-Activity Relationships in Oxide Derived CuSn Catalysts During CO2 Electroreduction Using X-Ray Spectroscopy</title>
    <abstract language="eng">The development of earth-abundant catalysts for selective electrochemical CO2 conversion is a central challenge. Cu-Sn bimetallic catalysts can yield selective CO2 reduction toward either CO or formate. This study presents oxide-derived Cu-Sn catalysts tunable for either product and seeks to understand the synergetic effects between Cu and Sn causing these selectivity trends. The materials undergo significant transformations under CO2 reduction conditions, and their dynamic bulk and surface structures are revealed by correlating observations from multiple methods—X-ray absorption spectroscopy for in situ study, and quasi in situ X-ray photoelectron spectroscopy for surface sensitivity. For both types of catalysts, Cu transforms to metallic Cu0 under reaction conditions. However, the Sn speciation and content differ significantly between the catalyst types: the CO-selective catalysts exhibit a surface Sn content of 13 at. % predominantly present as oxidized Sn, while the formate-selective catalysts display an Sn content of ≈70 at. % consisting of both metallic Sn0 and Sn oxide species. Density functional theory simulations suggest that Snδ+ sites weaken CO adsorption, thereby enhancing CO selectivity, while Sn0 sites hinder H adsorption and promote formate production. This study reveals the complex dependence of catalyst structure, composition, and speciation with electrochemical bias in bimetallic Cu catalysts.</abstract>
    <parentTitle language="eng">Advanced Energy Materials</parentTitle>
    <identifier type="doi">10.1002/aenm.202103328</identifier>
    <identifier type="issn">1614-6832</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-547116</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">28.04.2022</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>L. C. Pardo Pérez</author>
    <author>A. Arndt</author>
    <author>S. Stojkovikj</author>
    <author>I. Y. Ahmet</author>
    <author>J. T. Arens,</author>
    <author>F. Dattila</author>
    <author>R. Wendt</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>V. Davies</author>
    <author>K. Höflich</author>
    <author>E. Köhnen</author>
    <author>P. Tockhorn</author>
    <author>R. Golnak</author>
    <author>J. Xiao</author>
    <author>G. Schuck</author>
    <author>M. Wollgarten</author>
    <author>N. López</author>
    <author>M. T. Mayer</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Electrochemical CO2 conversion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cu catalysts</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray absorption spectroscopy</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/54711/Advanced Energy Materials - 2021 - Pardo Perez et al.pdf</file>
  </doc>
  <doc>
    <id>51742</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1411</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>12</issue>
    <volume>10</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Increasing the Efficiency of Optimized V-SBA-15 Catalysts in the Selective Oxidation of Methane to Formaldehyde by Artificial Neural Network Modelling</title>
    <abstract language="eng">The present study investigates the possibility of improving the selective oxidation of methane to formaldehyde over V-SBA-15 catalysts in two different ways. In a classical approach of catalyst optimization, the in situ synthesis of V-SBA-15 catalysts was optimized with regard to the applied pH value. Among the set of catalysts synthesized, a higher amount of incorporated vanadium, a higher content of polymeric VOx species as well as a less ordered structure of the support material were observed by increasing the pH values from 2.0 to 3.0. An optimum in performance during the selective oxidation of methane to formaldehyde with respect to activity and selectivity was found over V-SBA-15 prepared at a pH value of 2.5. With this knowledge, we have now evaluated the possibilities of reaction control using this catalyst. Specifically, artificial neural network modelling was applied after the collection of 232 training samples for obtaining insight into the influence of different reaction parameters (temperature; gas hourly space velocity (GHSV); and concentration of O2, N2 and H2O) onto methane conversion and selectivity towards formaldehyde.&#13;
This optimization of reaction conditions resulted in an outstanding high space-time yield of 13.6 kgCH2O∙kgcat∙h−1</abstract>
    <parentTitle language="eng">Catalysts</parentTitle>
    <identifier type="doi">10.3390/catal10121411</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-517420</identifier>
    <enrichment key="date_peer_review">14.01.2021</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>B. Kunkel</author>
    <author>Anke Kabelitz</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>S. Wohlrab</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Artificial neural network modelling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Selective oxidation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Molecular VOx catalysts</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Formaldehyde</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Eigenverlag BAM</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/51742/catalysts-10-01411.pdf</file>
  </doc>
  <doc>
    <id>35815</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>57</pageFirst>
    <pageLast>67</pageLast>
    <pageNumber/>
    <edition/>
    <issue>339</issue>
    <volume/>
    <type>article</type>
    <publisherName>Elsevier Inc.</publisherName>
    <publisherPlace>Philadelphia, Pennsylvania, USA</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A combined in-situ XAS-DRIFTS study unraveling adsorbate induced changes on the Pt nanoparticle structure</title>
    <abstract language="eng">The adsorption behavior of Platinum nanoparticles was studied for the as-received catalyst (under inert gas), under hydrogen and CO atmosphere using our newly designed in-situ cell. X-ray Absorption Spectroscopy (XAS) and Diffuse Reflectance Infrared Fourier Transform Spectroscopy (DRIFTS) experiments were performed simultaneously with high data quality. Structural information and the type of adsorbate could be revealed via Extended X-ray Absorption Fine Structure (EXAFS) analysis, Dl X-ray Absorption Near Edge Structure analysis (Dl XANES) and in-situ DRIFTS. The as-received catalyst showed sub-surface oxygen and O(n-fold). Under CO atmosphere only CO(atop) was found. Reversible adsorbate induced changes of the Pt nanoparticle structure were derived from changes in the PtAPt coordination number and the corresponding bond distance. Under reducing conditions (H2, CO) a significant increase in both values occurred. Temperature dependent desorption of CO revealed a gradual shift from PtACO to PtAO. Reoxidation was clearly assigned to strong metal support interaction from the SiO2 support.</abstract>
    <parentTitle language="eng">Journal of Catalysis</parentTitle>
    <identifier type="doi">10.1016/j.jcat.2016.03.034</identifier>
    <enrichment key="date_peer_review">18.07.2016</enrichment>
    <author>C. Brieger</author>
    <author>J. Melke</author>
    <author>N. van der Bosch</author>
    <author>Uwe Reinholz</author>
    <author>Heinrich Riesemeier</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>M. Krishna Kayarkatte</author>
    <author>A. Schoeckel</author>
    <author>C. Roth</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray absorption spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>DRIFTS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>CO adsorption</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Platinum</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Strong metal support interaction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Silica support</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Adsorbates</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Infrared spectroscopy</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>57825</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>5626</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Springer</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Local structure and magnetic properties of a nanocrystalline Mn-rich Cantor alloy thin film down to the atomic scale</title>
    <abstract language="eng">The huge atomic heterogeneity of high-entropy materials along with a possibility to unravel the behavior of individual components at the atomic scale suggests a great promise in designing new compositionally complex systems with the desired multi-functionality. Herein, we apply multi-edge X-ray absorption spectroscopy (extended X-ray absorption fine structure (EXAFS), X-ray absorption near edge structure (XANES), and X-ray magnetic circular dichroism (XMCD)) to probe the structural, electronic, and magnetic properties of all individual constituents in the single-phase face-centered cubic (fcc)-structured nanocrystalline thin film of Cr20Mn26Fe18Co19Ni17 (at.%) high-entropy alloy on the local scale. The local crystallographic ordering and component-dependent lattice displacements were explored within the reverse Monte Carlo approach applied to EXAFS spectra collected at the K absorption edges of several constituents at room temperature. A homogeneous short-range fcc atomic environment around the absorbers of each type with very similar statistically averaged interatomic distances (2.54–2.55 Å) to their nearest-neighbors and enlarged structural relaxations of Cr atoms were revealed. XANES and XMCD spectra collected at the L2,3 absorption edges of all principal components at low temperature from the oxidized and in situ cleaned surfaces were used to probe the oxidation states, the changes in the electronic structure, and magnetic behavior of all constituents at the surface and in the sub-surface volume of the film. The spin and orbital magnetic moments of Fe, Co, and Ni components were quantitatively evaluated. The presence of magnetic phase transitions and the co-existence of different magnetic phases were uncovered by conventional magnetometry in a broad temperature range.</abstract>
    <parentTitle language="eng">Nano Research</parentTitle>
    <identifier type="doi">10.1007/s12274-022-5135-3</identifier>
    <identifier type="issn">1998-0124</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-578254</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">03.07.2023</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>A. Smekhova</author>
    <author>A. Kuzmin</author>
    <author>K. Siemensmeyer</author>
    <author>C. Luo</author>
    <author>J. Taylor</author>
    <author>S. Thakur</author>
    <author>F. Radu</author>
    <author>E. Weschke</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>B. Xiao</author>
    <author>A. Savan</author>
    <author>Kirill Yusenko</author>
    <author>A. Ludwig</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Magnetism</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High-entropy alloys</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Reverse Monte Carlo (RMC)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Element-specific spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Extended X-ray absorption fine structure (EXAFS),</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray magnetic circular dichroism (XMCD),</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Eigenverlag BAM</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/57825/s12274-022-5135-3.pdf</file>
  </doc>
  <doc>
    <id>51082</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>8</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>26</volume>
    <type>article</type>
    <publisherName>WILEY-VCH Verlag GmbH &amp; co. KGaA</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The Earlier the Better: Structural Analysis and Separation of Lanthanides with Pyrroloquinoline Quinone</title>
    <abstract language="eng">Lanthanides (Ln) are critical raw materials, however, their mining and purification have a considerable negative environmental impact and sustainable recycling and separation strategies for these elements are needed. In this study, the precipitation and solubility behavior of Ln complexes with pyrroloquinoline quinone (PQQ), the cofactor of recently discovered lanthanide (Ln) dependent methanol Dehydrogenase (MDH) enzymes, is presented. In this context, the molecular structure of a biorelevant europium PQQ complex was for the first time elucidated outside a protein environment.&#13;
The complex crystallizes as an inversion symmetric dimer, Eu2PQQ2, with binding of Eu in the biologically relevant pocket of PQQ. LnPQQ and Ln1Ln2PQQ complexes were characterized by using inductively coupled Plasma mass spectrometry (ICP-MS), infrared (IR) spectroscopy, 151Eu-Mössbauer spectroscopy, X-ray total scattering, and Extended X-ray absorption fine structure (EXAFS). It is shown that a natural enzymatic cofactor is capable to achieve Separation by precipitation of the notoriously similar, and thus difficult to separate, lanthanides to some extent.</abstract>
    <parentTitle language="eng">Chemistry – A European Journal</parentTitle>
    <identifier type="doi">10.1002/chem.202002653</identifier>
    <identifier type="issn">0947-6539</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-510821</identifier>
    <enrichment key="date_peer_review">05.08.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY-NC - Namensnennung - Nicht kommerziell 4.0 International</licence>
    <author>H. Lumpe</author>
    <author>A. Menke</author>
    <author>C. Haisch</author>
    <author>P. Mayer</author>
    <author>Anke Kabelitz</author>
    <author>Kirill Yusenko</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>T. Block</author>
    <author>R. Pöttgen</author>
    <author>Franziska Emmerling</author>
    <author>L. J. Daumann</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lanthanides</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Structural Analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Separation</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/51082/Lumpe_2020_Chemistry_A_european_journal_The_earlier_the_better_.pdf</file>
  </doc>
  <doc>
    <id>51270</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>10133</pageFirst>
    <pageLast>10139</pageLast>
    <pageNumber/>
    <edition/>
    <issue>44</issue>
    <volume>26</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The Earlier the Better: Structural Analysis and Separation of Lanthanides with Pyrroloquinoline Quinone</title>
    <abstract language="eng">Lanthanides (Ln) are critical raw materials, however, their mining and purification have a considerable negative environmental impact and sustainable recycling and separation strategies for these elements are needed. In this study, the precipitation and solubility behavior of Ln complexes with pyrroloquinoline quinone (PQQ), the cofactor of recently discovered lanthanide (Ln) dependent methanol dehydrogenase (MDH) enzymes, is presented. In this context, the molecular structure of a biorelevant europium PQQ complex was for the first time elucidated outside a protein environment. The complex crystallizes as an inversion symmetric dimer, Eu2PQQ2, with binding of Eu in the biologically relevant pocket of PQQ. LnPQQ and Ln1Ln2PQQ complexes were characterized by using inductively coupled plasma mass spectrometry (ICP‐MS), infrared (IR) spectroscopy, 151Eu‐Mössbauer spectroscopy, X‐ray total scattering, and extended X‐ray absorption fine structure (EXAFS). It is shown that a natural enzymatic cofactor is capable to achieve separation by precipitation of the notoriously similar, and thus difficult to separate, lanthanides to some extent.</abstract>
    <parentTitle language="eng">Chemistry A European Journal</parentTitle>
    <identifier type="doi">10.1002/chem.202002653</identifier>
    <identifier type="old">0947-6539</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-512707</identifier>
    <enrichment key="date_peer_review">21.09.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY-NC - Namensnennung - Nicht kommerziell 4.0 International</licence>
    <author>H. Lumpe</author>
    <author>Annika Menke</author>
    <author>C. Haisch</author>
    <author>P. Mayer</author>
    <author>Anke Kabelitz</author>
    <author>Kirill Yusenko</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>T. Block</author>
    <author>R. Pöttgen</author>
    <author>Franziska Emmerling</author>
    <author>L. Daumann</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>PQQ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lanthanoide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Coordination chemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Rare earth elements separations</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/51270/chem.202002653.pdf</file>
  </doc>
  <doc>
    <id>50753</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>713</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>4</issue>
    <volume>10</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Advances in Nickel Nanoparticle Synthesis via Oleylamine Route</title>
    <abstract language="eng">Nickel nanoparticles are an active research area due to their multiple applications as catalysts in different processes. A variety of preparation techniques have been reported for the synthesis of these nanoparticles, including solvothermal, microwave-assisted, and emulsion techniques. The well-studied solvothermal oleylamine synthesis route comes with the drawback of needing standard air-free techniques and often space-consuming glassware. Here, we present a facile and straightforward synthesis method for size-controlled highly monodisperse nickel nanoparticles avoiding the use of, e.g., Schlenk techniques and space-consuming labware. The nanoparticles produced by this novel synthetic route were investigated using small-angle X-ray scattering, transmission electron microscopy, X-ray diffraction, and X-ray spectroscopy. The nanoparticles were in a size range of 4–16 nm, show high sphericity, no oxidation, and no agglomeration after synthesis.</abstract>
    <parentTitle language="eng">nanomaterials</parentTitle>
    <identifier type="doi">10.3390/nano10040713</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-507531</identifier>
    <enrichment key="date_peer_review">13.05.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Maria Heilmann</author>
    <author>Hannes Kulla</author>
    <author>Carsten Prinz</author>
    <author>Ralf Bienert</author>
    <author>Uwe Reinholz</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticle synthesis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nickel nanoparticles</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SAXS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>TEM</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XAS</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/50753/nanomaterials-10-00713-v2.pdf</file>
  </doc>
  <doc>
    <id>56950</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>15</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Royal Society of Chemistry (RSC)</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Template-free synthesis of mesoporous, amorphous transition metal phosphate materials</title>
    <abstract language="eng">We present how mesoporosity can be engineered in transition metal phosphate (TMPs) materials in a template-free manner. The method involves a transformation of a precursor metal phosphate phase, called M-struvite (NH4MPO4·6H2O, M = Mg2+, Ni2+, Co2+, NixCo1-x2+). It relies on the thermal decomposition of crystalline M-struvite precursors to an amorphous and simultaneously mesoporous phase, which forms while degassing of NH3 and H2O. The temporal evolution of mesoporous frameworks and the response of the metal coordination environment were followed with in-situ and ex-situ scattering and diffraction, as well as X -ray spectroscopy. Despite sharing the same precursor struvite structure, different amorphous and mesoporous structures were obtained depending on the involved transition metal. We highlight the systematic differences in absolute surface area, pore shape, pore size, and phase transitions depending on a metal cation present in the analogous M-struvites. The amorphous structures of thermally decomposed Mg-, Ni- and NixCo1-x-struvites exhibit high surface areas and pore volumes (240 m²g-1 and 0.32 cm-3 g-1 for Mg and 90 m²g-1 and 0.13 cm-3 g-1 for Ni). We propose that the low-cost, environmentally friendly M-struvites could be obtained as recycling products from industrial and agricultural wastewaters. These waste products could be then upcycled into mesoporous TMPs through a simple thermal treatment for further applications, for instance, in (electro)catalysis.</abstract>
    <parentTitle language="eng">Nanoscale</parentTitle>
    <identifier type="doi">10.1039/D2NR05630E</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-569503</identifier>
    <identifier type="issn">2040-3364</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">06.02.2023</enrichment>
    <enrichment key="PaperofMonth">1</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Stephanos Karafiludis</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Christian Heinekamp</author>
    <author>Glen Jacob Smales</author>
    <author>Vasile-Dan Hodoroaba</author>
    <author>J. E. ten Elshof</author>
    <author>Franziska Emmerling</author>
    <author>Tomasz Stawski</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Struvite</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Pphosphates</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Transition metal</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In-situ SAXS/WAXS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mesoporosity</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="institutes" number="">6.5 Synthese und Streuverfahren nanostrukturierter Materialien</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/56950/d2nr05630e.pdf</file>
  </doc>
  <doc>
    <id>57586</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>deu</language>
    <pageFirst>1</pageFirst>
    <pageLast>13</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Royal Society of Chemisty (RSC)</publisherName>
    <publisherPlace>London/Cambridge</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="deu">Thermally processed Ni-and Co-struvites as functional materials for proton conductivity</title>
    <abstract language="eng">We present how mesoporosity can be engineered in transition metal phosphate (TMPs) materials in a template-free manner. The method involves the transformation of a precursor metal phosphate phase, called M-struvite (NH4MPO4·6H2O, M = Mg2+, Ni2+, Co2+, NixCo1−x2+). It relies on the thermal decomposition of crystalline M-struvite precursors to an amorphous and simultaneously mesoporous phase, which forms during degassing of NH3 and H2O. The temporal evolution of mesoporous frameworks and the response of the metal coordination environment were followed by in situ and ex situ scattering and diffraction, as well as X-ray spectroscopy. Despite sharing the same precursor struvite structure, different amorphous and mesoporous structures were obtained depending on the involved transition metal. We highlight the systematic differences in absolute surface area, pore shape, pore size, and phase transitions depending on the metal cation present in the analogous M-struvites. The amorphous structures of thermally decomposed Mg-, Ni- and NixCo1−x-struvites exhibit high surface areas and pore volumes (240 m2 g−1 and 0.32 cm−3 g−1 for Mg and 90 m2 g−1 and 0.13 cm−3 g−1 for Ni). We propose that the low-cost, environmentally friendly M-struvites could be obtained as recycling products from industrial and agricultural wastewaters. These waste products could be then upcycled into mesoporous TMPs through a simple thermal treatment for further application, for instance in (electro)catalysis.</abstract>
    <parentTitle language="deu">Dalton Transactions</parentTitle>
    <identifier type="doi">10.1039/D3DT00839H</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-575862</identifier>
    <identifier type="issn">1477-9226</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">05.06.2023</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Stephanos Karafiludis</author>
    <author>Biswajit Bhattacharya</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Friedrich Fink</author>
    <author>Ines Feldmann</author>
    <author>J. E. ten Elshof</author>
    <author>Franziska Emmerling</author>
    <author>Tomasz Stawski</author>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Struvite</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Phosphates</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Transition metals</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Proton conductivity</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">4 Material und Umwelt</collection>
    <collection role="institutes" number="">4.2 Material-Mikrobiom Wechselwirkungen</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/57586/d3dt00839h.pdf</file>
  </doc>
  <doc>
    <id>57915</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>4333</pageFirst>
    <pageLast>4344</pageLast>
    <pageNumber/>
    <edition/>
    <issue>30</issue>
    <volume>25</volume>
    <type>article</type>
    <publisherName>CrystEngComm</publisherName>
    <publisherPlace>London</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Phase stability studies on transition metal phosphates aided by an automated synthesis</title>
    <abstract language="eng">Transition metal phosphates (TMPs) have attracted interest as materials for (electro-) catalysis, and electrochemistry due to their low-cost, stability, and tunability. In this work, an automated synthesis platform was used for the preparation of transition metal phosphate crystals to efficiently explore the multidimensional parameter space, determining the phase selection, crystal sizes, shapes. By using X-ray diffraction and spectroscopy-based methods and electron microscopy imaging, a complete characterization of the phase stability fields, phase transitions, and crystal morphology/sizes was achieved. In an automated three-reactant synthesis, the individual effect of each reactant species NH4+, M2+, and PO43- on the formation of transition metal phosphate phases: M-struvite NH4MPO4·6H2O, M-phosphate octahydrate M3(PO4)2·8H2O with M = Ni, Co and an amorphous phase, was investigated. The NH4+ concentration dictates the phase composition, morphology, and particle size in the Ni-system (crystalline Ni-struvite versus amorphous Ni-PO4 phase), whereas in the Co-system all reactant species - NH4+, Co2+, and PO43- - influence the reaction outcome equivalently (Co-struvite vs. Co-phosphate octahydrate). The coordination environment for all crystalline compounds and of the amorphous Ni-PO4 phase was resolved by X-ray absorption spectroscopy, revealing matching characteristics to its crystalline analogue, Ni3(PO4)2·8H2O. The automated synthesis turned out to be significantly advantageous for the exploration of phase diagrams due to its simple modularity, facile traceability, and enhanced reproducibility compared to a typical manual synthesis.</abstract>
    <parentTitle language="eng">Royal Society of Chemistry (RSC)</parentTitle>
    <identifier type="doi">10.1039/D3CE00386H</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-579151</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">07.08.2023</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Stephanos Karafiludis</author>
    <author>T. W. Ryll</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Franziska Emmerling</author>
    <author>Tomasz Maciej Stawski</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Automated synthesis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phase diagrams</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Transition metals</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phosphates</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Local structure</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Struvite</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/57915/d3ce00386h.pdf</file>
  </doc>
  <doc>
    <id>58224</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>11224</pageFirst>
    <pageLast>11227</pageLast>
    <pageNumber/>
    <edition/>
    <issue>75</issue>
    <volume>59</volume>
    <type>article</type>
    <publisherName>RSC</publisherName>
    <publisherPlace>Cambridge</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">An amorphous Lewis-acidic zirconium chlorofluoride as HF shuttle: C–F bond activation and formation</title>
    <abstract language="eng">An exceptional HF transfer reaction by C–F bond activation of fluoropentane and a subsequent hydrofluorination of alkynes at room temperature is reported. An amorphous Lewis-acidic Zr chlorofluoride serves as heterogeneous catalyst, which is characterised by an eightfold coordination environment at Zr including chlorine atoms. The studies are seminal in establishing sustainable fluorine chemistry.</abstract>
    <parentTitle language="eng">Chemical Communications</parentTitle>
    <identifier type="doi">10.1039/D3CC03164K</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-582249</identifier>
    <identifier type="issn">1359-7345</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">13.09.2023</enrichment>
    <licence>Creative Commons - CC BY-NC - Namensnennung - Nicht kommerziell 4.0 International</licence>
    <author>Christian Heinekamp</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>M. Ahrens</author>
    <author>T. Braun</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>ZCF</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Heterogeneous catalysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>C-F bond activation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>HF-shuttle</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/58224/ChemComm_HF_Transfer.pdf</file>
  </doc>
  <doc>
    <id>35903</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>769</pageFirst>
    <pageLast>776</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>23</volume>
    <type>article</type>
    <publisherName>International Union of Crystallography</publisherName>
    <publisherPlace>Liverpool, UK</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Time- and spatial-resolved XAFS spectroscopy in a&#13;
single shot: new analytical possibilities for in situ&#13;
material characterization</title>
    <abstract language="eng">A new concept that comprises both time- and lateral-resolved X-ray absorption fine-structure information simultaneously in a single shot is presented. This uncomplicated set-up was tested at the BAMline at BESSY-II (Berlin, Germany). The primary broadband beam was generated by a double multilayer monochromator. The transmitted beam through the sample is diffracted by a convexly bent Si (111) crystal, producing a divergent beam. This, in turn, is collected by either an energy-sensitive area detector, the so-called color X-ray camera, or by an area-sensitive detector based on a CCD camera, in θ–2θ geometry. The first tests were performed with thin metal foils and some iron oxide mixtures. A time resolution of lower than 1 s together with a spatial resolution in one dimension of at least 50 mm is achieved.</abstract>
    <parentTitle language="eng">Journal of Synchrotron Radiation</parentTitle>
    <identifier type="doi">10.1107/S1600577516003969</identifier>
    <identifier type="url">http://scripts.iucr.org/cgi-bin/paper?S1600577516003969</identifier>
    <identifier type="issn">1600-5775</identifier>
    <enrichment key="date_peer_review">30.05.2016</enrichment>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>Uwe Reinholz</author>
    <author>Heinrich Riesemeier</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Single-shot XAFS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Time resolution</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>37616</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>4232</pageFirst>
    <pageLast>4239</pageLast>
    <pageNumber/>
    <edition/>
    <issue>8</issue>
    <volume>16</volume>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Role of water during crystallization of amorphous cobalt phosphate nanoparticles</title>
    <abstract language="eng">The transformation of amorphous precursors into crystalline solids and the associated mechanisms are still poorly understood. We illuminate the formation and reactivity of an amorphous cobalt phosphate hydrate precursor and the role of water for its crystallization process. Amorphous cobalt phosphate hydrate nanoparticles (ACP) with diameters of ∼20 nm were prepared in the absence of additives from aqueous solutions at low concentrations and with short reaction times. To avoid the kinetically controlled transformation of metastable ACP into crystalline Co₃(PO₄)₂ × 8H₂O (CPO) its separation must be fast. The crystallinity of ACP could be controlled through the temperature during precipitation. A second amorphous phase (HT-ACP) containing less water and anhydrous Co₃(PO₄)₂ was formed at higher temperature by the release of coordinating water. ACP contains approximately five molecules of structural water per formula unit as determined by thermal analysis (TGA) and quantitative IR spectroscopy. The Co²+ coordination in ACP is tetrahedral, as shown by XANES/EXAFS spectroscopy, but octahedral in crystalline CPO. ACP is stable in the absence of water even at 500 °C. In the wet state, the transformation of ACP to CPO is triggered by the diffusion and incorporation of water into the structure. Quantitative in situ IR analysis allowed monitoring the crystallization kinetics of ACP in the presence of water.</abstract>
    <parentTitle language="eng">Crystal Growth &amp; Design</parentTitle>
    <identifier type="doi">10.1021/acs.cgd.6b00208</identifier>
    <identifier type="issn">1528-7483</identifier>
    <identifier type="issn">1528-7505</identifier>
    <enrichment key="date_peer_review">04.10.2016</enrichment>
    <author>S. Bach</author>
    <author>M. Panthöfer</author>
    <author>Ralf Bienert</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Franziska Emmerling</author>
    <author>W. Tremel</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fluorapatite-gelatin nanocomposites</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Calcium-carbonate</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Zinc phosphate</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystal-growth</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nucleation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymorphism</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>38421</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>17453</pageFirst>
    <pageLast>17463</pageLast>
    <pageNumber/>
    <edition/>
    <issue>43</issue>
    <volume>45</volume>
    <type>article</type>
    <publisherName>The Royal Society of Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The crystallisation of copper(II) phenylphosphonates</title>
    <abstract language="eng">The crystal structures and syntheses of four different copper(II) phenylphosphonates, the monophenylphosphonates α-, β-, and γ-Cu(O3PC6H5)·H2O (α-CuPhPmH (1) β-CuPhPmH (2) and γ-CuPhPmH (3)), and the diphosphonate Cu(HO3PC6H5)2·H2O (CuPhP2mH (4)), are presented. The compounds were synthesized from solution at room temperature, at elevated temperature, under hydrothermal conditions, and mechanochemical conditions. The structures of α-CuPhPmH (1) and CuPhP2mH (4) were solved from powder X-ray diffraction data. The structure of β-CuPhPmH (2) was solved by single crystal X-ray analysis. The structures were validated by extended X-ray absorption fine structure (EXAFS) and DTA analyses. Disorder of the crystal structure was elucidated by electron diffraction. The relationship between the compounds and their reaction pathways were investigated by in situ synchrotron measurements.</abstract>
    <parentTitle language="eng">Dalton Transactions</parentTitle>
    <identifier type="doi">10.1039/C6DT02904C</identifier>
    <identifier type="issn">1477-9226</identifier>
    <identifier type="issn">1477-9234</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-384217</identifier>
    <enrichment key="date_peer_review">08.12.2016</enrichment>
    <licence>Creative Commons - Namensnennung 3.0</licence>
    <author>Manuel Wilke</author>
    <author>Anke Kabelitz</author>
    <author>T. E. Gorelik</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Uwe Reinholz</author>
    <author>U. Kolb</author>
    <author>K. Rademann</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Metal phosphonate</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/38421/Wilke-2016-The crystallisation.pdf</file>
  </doc>
  <doc>
    <id>61288</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>30</pageFirst>
    <pageLast>36</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>conferenceobject</type>
    <publisherName>Bundesanstalt für Materialforschung und -prüfung (BAM)</publisherName>
    <publisherPlace>Berlin</publisherPlace>
    <creatingCorporation>Deutscher Ausschuss für Stahlbeton (DAfStb)</creatingCorporation>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Exploring new materials for Green Intelligent Building - How can our BAMline help?</title>
    <abstract language="eng">In the scope of exploring and characterizing new materials related to Green Intelligent Building (GIB), we will provide an overview of the X-ray spectroscopy and diffraction analytical methods available at the BAMline /1/. and Myspot beamlines. These are two universal beamlines at the Berlin Synchrotron BESSY-II, where BAM has access and supervision role. Overarching electronic and structural properties at different time and length scales, such measurements enable a real-time characterization of materials properties. We will show-case in situ and ex situ deterioration and hydration studies on cement-based constructure materials.</abstract>
    <parentTitle language="eng">11. Jahrestagung des DAfStb mit 63. Forschungskolloquium der BAM - Beiträge zum 63. Forschungskolloquium Green Intelligent Building am 16. und 17. Oktober 2024</parentTitle>
    <identifier type="isbn">978-3-9818564-7-7</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-612882</identifier>
    <enrichment key="eventName">11. Jahrestagung des DAfStb mit 63. Forschungskolloquium der BAM Green Intelligent Building</enrichment>
    <enrichment key="eventPlace">Berlin, Germany</enrichment>
    <enrichment key="eventStart">16.10.2024</enrichment>
    <enrichment key="eventEnd">17.10.2024</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="RelatedIdentifier">https://nbn-resolving.org/urn:nbn:de:kobv:b43-613383</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BAMline</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Scope of exploring</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Green intelligent building</value>
    </subject>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Infrastruktur</collection>
    <collection role="literaturgattung" number="">Eigenverlag BAM</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Green Intelligent Building</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/61288/1.2_Block_1_02_Buzanich.pdf</file>
  </doc>
  <doc>
    <id>63799</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>15</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>16</volume>
    <type>article</type>
    <publisherName>Springer Science and Business Media LLC</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A partially disordered crystallographic shear block structure as fast-charging negative electrode material for lithium-ion batteries</title>
    <abstract language="eng">A well-ordered crystalline structure is crucial in battery electrodes, as the dimensionality and connectivity of the interstitial sites inherently influence Li+ ions diffusion kinetics. Niobium tungsten oxides block structures, composed of ReO3-type blocks of specific sizes with well-defined metal sites, are promising fast-charging negative electrode materials. Structural disorder is generally detrimental to conductivity or ion transport. However, here, we report an anomalous partially disordered Nb12WO33 structure that significantly enhances Li-ion storage performance compared to the known monoclinic Nb12WO33 phase. The partially disordered phase consists of corner-shared NbO6 octahedra blocks of varied sizes, including 5×4, 4×4, and 4×3, with a disordered arrangement of distorted WO4 tetrahedra at the corners of the blocks. This structural arrangement is robust during lithiation/delithiation, exhibiting minor local structure changes during cycling. It enables accelerated Li-ion migration, resulting in promising fast-charging performance, namely, 62.5 % and 44.7 % capacity retention at 20 C and 80 C, respectively. This study highlights the benefits of introducing disorder into niobium tungsten oxide shear structures, through the establishment of clear structure-performance correlations, offering guidelines for designing materials with targeted properties.</abstract>
    <parentTitle language="eng">Nature Communications</parentTitle>
    <identifier type="issn">2041-1723</identifier>
    <identifier type="doi">10.1038/s41467-025-61646-9</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-637994</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
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Niobium tungsten oxides block structures, composed of ReO&lt;jats:sub&gt;3&lt;\/jats:sub&gt;-type blocks of specific sizes with well-defined metal sites, are promising fast-charging negative electrode materials. Structural disorder is generally detrimental to conductivity or ion transport. However, here, we report an anomalous partially disordered Nb&lt;jats:sub&gt;12&lt;\/jats:sub&gt;WO&lt;jats:sub&gt;33&lt;\/jats:sub&gt; structure that significantly enhances Li-ion storage performance compared to the known monoclinic Nb&lt;jats:sub&gt;12&lt;\/jats:sub&gt;WO&lt;jats:sub&gt;33&lt;\/jats:sub&gt; phase. The partially disordered phase consists of corner-shared NbO&lt;jats:sub&gt;6&lt;\/jats:sub&gt; octahedra blocks of varied sizes, including 5\u00d74, 4\u00d74, and 4\u00d73, with a disordered arrangement of distorted WO&lt;jats:sub&gt;4&lt;\/jats:sub&gt; tetrahedra at the corners of the blocks. This structural arrangement is robust during lithiation\/delithiation, exhibiting minor local structure changes during cycling. It enables accelerated Li-ion migration, resulting in promising fast-charging performance, namely, 62.5 % and 44.7 % capacity retention at 20\u2009C and 80\u2009C, respectively. 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    <title language="eng">Zirconium fluoride-supported high-entropy fluoride: a catalyst for enhanced oxygen evolution reaction</title>
    <abstract language="eng">Extended hydrogen initiatives promote the urgency of research on water splitting technologies and, therein, oxygen evolution reaction catalysts being developed. A route to access a ZrF4 supported high-entropy fluoride catalyst using a facile sol–gel route is presented. The high-entropy character of the catalyst was confirmed by scanning transmission electron microscopy and energy dispersive X-ray spectroscopy (STEM-EDX) as well as inductively coupled plasma-mass spectrometry (ICP-MS). Additional investigations on the local structure were performed using extended X-ray absorption fine structure spectroscopy (EXAFS) and pair distribution function (PDF) analysis. The catalyst shows significant potential for oxygen evolution reaction (OER) in alkaline media with a current density of 100 mA cm−2 at approximately 1.60 V, thus outperforming benchmark materials such as IrO2, despite a significant reduction in electrochemical mass loading. A potential mechanism is suggested based on free energy calculation using DFT calculations.</abstract>
    <parentTitle language="eng">Journal of Materials Chemistry A</parentTitle>
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    <identifier type="doi">10.1039/D4TA08664C</identifier>
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    <abstract language="eng">A novel setup for dispersive X-ray absorption spectroscopy (XAS) with simultaneous resolution of space, time and energy for in situ characterization of solid materials is demonstrated.</abstract>
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    <author>Stefan Peters</author>
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    <author>Steffen Witte</author>
    <author>Thomas Bernstein</author>
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    <author>Martin Radtke</author>
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    <author>Ana de Oliveira Guilherme Buzanich</author>
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      <value>Dispersive XAS</value>
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    <subject>
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      <type>uncontrolled</type>
      <value>Catalysis</value>
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    <subject>
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      <type>uncontrolled</type>
      <value>In situ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Structure analysis</value>
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    <title language="eng">A fluorolytic sol-gel route to access an amorphous Zr fluoride catalyst: A useful tool for C-F bond activation</title>
    <abstract language="eng">A route to a ZrF4 catalyst active in room temperature Friedel–Crafts and dehydrofluorination reactions was developed via a fluorolytic sol–gel route, which was followed by a postfluorination step using a stream of CHClF2. The behaviour of different Zr(IV) precursors in a sol–gel reaction with anhydrous isopropanol/HF solution was investigated. The subsequent post-fluorination step was optimised in its temperature ramp and confirmed the necessity of a fluorination of the generated xerogels to obtain catalytic activity. The process is discussed in the context of the analysis of the materials using Brunauer–Emmett–Teller analysis (BET), powder X-ray diffraction (XRD), infrared spectroscopy (IR), thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The local structure of the amorphous catalyst was elucidated by extended X-ray absorption fine structure spectroscopy (EXAFS).</abstract>
    <parentTitle language="eng">Catalysis Science &amp; Technology</parentTitle>
    <identifier type="doi">10.1039/D3CY01439H</identifier>
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    <author>Christian Heinekamp</author>
    <author>Sönke Kneiske</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Mike Ahrens</author>
    <author>Thomas Braun</author>
    <author>Franziska Emmerling</author>
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      <value>Catalysis</value>
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      <language>eng</language>
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      <value>Heterogeneous catalysis</value>
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      <language>eng</language>
      <type>uncontrolled</type>
      <value>C-F bond activation</value>
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      <language>eng</language>
      <type>uncontrolled</type>
      <value>Postfluorination</value>
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    <title language="eng">A Crystalline Bismuth(II) Radical Anion: Synthesis, Characterization, and Reactivity</title>
    <abstract language="eng">AbstractWe report the synthesis of a planarized tris‐amidobismuthane supported by a rigid, bulky NNN pincer ligand, which enforces a T‐shaped geometry at the bismuth center. The Bi(NNN) complex features a low‐lying LUMO with distinct Bi(6p) orbital character as shown by DFT calculations. Cyclic voltammetry reveals a fully reversible one‐electron reduction at E1/2 = –1.85 V versus Fc0/+ in THF. Chemical reduction with KC8 in the presence of 4,7,13,16,21,24‐hexaoxa‐1,10‐diazabicyclo[8.8.8]hexacosane (222‐crypt) enables the isolation of an unprecedented Bi(II) radical anion in high isolated yields. Multi‐frequency EPR, X‐ray absorption spectroscopy and SQUID magnetometry complemented by theoretical calculations confirm localization of the unpaired electron on the bismuth center. Preliminary reactivity studies display radical reactivity as shown by single‐electron transfer chemistry and radical coupling reactions.</abstract>
    <parentTitle language="eng">Angewandte Chemie International Edition</parentTitle>
    <identifier type="issn">1433-7851</identifier>
    <identifier type="doi">10.1002/anie.202515545</identifier>
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    <author>Sotirios Pavlidis</author>
    <author>Christian Teutloff</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Konstantin B. Krause</author>
    <author>Franziska Emmerling</author>
    <author>Robert Bittl</author>
    <author>Josh Abbenseth</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bi(III)</value>
    </subject>
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    <publishedYear>2022</publishedYear>
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    <title language="eng">Size-Tunable Ni–Cu Core–Shell Nanoparticles—Structure, Composition, and Catalytic Activity for the Reverse Water–Gas Shift Reaction</title>
    <abstract language="eng">A facile and efficient methodology is described for the solvothermal synthesis of size-tunable, stable, and uniform NiCu core–shell nanoparticles (NPs) for application in catalysis. The diameter of the NPs is tuned in a range from 6 nm to 30 nm and to adjust the Ni:Cu ratio from 30:1 to 1:1. Furthermore, the influence of different reaction parameters on the final NPs is studied. The NPs are structurally characterized by a method combination of transmission electron microscopy, anomalous small-angle X-ray scattering, X-ray absorption fine structure, and X-ray photoelectron spectroscopy. Using these analytical methods, it is possible to elucidate a core–shell–shell structure of all particles and their chemical composition. In all cases, a depletion from the core to the shell is observed, with the core consisting of NiCu alloy, surrounded by an inner Ni-rich shell and an outer NiO shell. The SiO2-supported NiCu core–shell NPs show pronounced selectivity of &gt;99% for CO in the catalytic reduction of CO2 to CO using hydrogen as reactant (reverse water–gas shift reaction) independent of size and Ni:Cu ratio.</abstract>
    <parentTitle language="eng">Advanced Engineering Materials</parentTitle>
    <identifier type="doi">10.1002/adem.202101308</identifier>
    <identifier type="issn">1438-1656</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-543606</identifier>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Maria Heilmann</author>
    <author>Carsten Prinz</author>
    <author>Ralf Bienert</author>
    <author>R. Wendt</author>
    <author>B. Kunkel</author>
    <author>Jörg Radnik</author>
    <author>A. Hoell</author>
    <author>S. Wohlrab</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticles</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Core-shell</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Catalysis</value>
    </subject>
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    <title language="eng">Local Structure of Europium-Doped Luminescent Strontium Fluoride Nanoparticles: Comparative X-ray Absorption Spectroscopy and Diffraction Study</title>
    <abstract language="eng">Rare-earth based luminescent materials are key functional components for the rational design of light-conversion smart devices. Stable Eu3+-doped strontium fluoride (SrF2) nanoparticles were prepared at room temperature in ethylene glycol. Their luminescence depends on the Eu content and changes after heat treatment. The crystallinity of heat-treated material increases in comparison with as-synthesized samples. Particles were investigated in solution using X-ray diffraction, small-angle X-ray scattering, and X-ray spectroscopy. After heat treatment, the size of the disordered nanoparticles increases together with a change of their local structure. Interstitial fluoride ions can be localized near Eu3+ ions. Therefore, non-radiative relaxation from other mechanisms is decreased. Knowledge about the cation distribution is key information for understanding the luminescence properties of any material.</abstract>
    <parentTitle language="eng">ChemNanoMat</parentTitle>
    <identifier type="doi">10.1002/cnma.202100281</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-540094</identifier>
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    <author>Kirill Yusenko</author>
    <author>Anke Kabelitz</author>
    <author>Alexander Schokel</author>
    <author>Ralf Wagner</author>
    <author>Carsten Prinz</author>
    <author>E Kemnitz</author>
    <author>Franziska Emmerling</author>
    <author>Thoralf Krahl</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SrF2</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>EXAFS</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Eu</value>
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    <title language="eng">Machine learning for efficient grazing-exit x-ray absorption near edge structure spectroscopy analysis: Bayesian optimization approach</title>
    <abstract language="eng">In materials science, traditional techniques for analyzing layered structures are essential for obtaining information about local structure, electronic properties and chemical states. While valuable, these methods often require high vacuum environments and have limited depth profiling capabilities. The grazing exit x-ray absorption near-edge structure (GE-XANES) technique addresses these limitations by providing depth-resolved insight at ambient conditions, facilitating in situ material analysis without special sample preparation. However, GE-XANES is limited by long data acquisition times, which hinders its practicality for various applications. To overcome this, we have incorporated Bayesian optimization (BO) into the GE-XANES data acquisition process. This innovative approach potentially reduces measurement time by a factor of 50. We have used a standard GE-XANES experiment, which serve as reference, to validate the effectiveness and accuracy of the BO-informed experimental setup. Our results show that this optimized approach maintains data quality while significantly improving efficiency, making GE-XANES more accessible to a wider range of materials science applications.</abstract>
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    <author>Cafer Tufan Cakir</author>
    <author>Can Bogoclu</author>
    <author>Franziska Emmerling</author>
    <author>Christina Streli</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
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    <title language="eng">Combining geometric constraint and redox non-innocence within an ambiphilic PBiP pincer ligand</title>
    <abstract language="eng">The first pincer ligand featuring a strictly T-shaped pnictogen donor moiety was synthesised. The PBiP ligand's redox activity facilitates unprecedented ambiphilic bonding of the Bi centre with transition metals through the Bi(6p) orbital.</abstract>
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    <author>Peter Coburger</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
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    <title language="eng">Unravelling highly oxidized nickel centers in the anodic black film formed during the Simons process by &lt;i&gt;in situ&lt;/i&gt; X-ray absorption near edge structure spectroscopy</title>
    <abstract language="eng">The electrofluorination after Simons has been used for the last century to produce everyday life materials. An in situ XANES investigation of the controversially debated black film apparent in the Simons process revealed high-valent nickel centers.</abstract>
    <parentTitle language="eng">Chemical Science</parentTitle>
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    <title language="eng">Ni- and Co-Struvites: Revealing Crystallization Mechanisms and Crystal Engineering toward Applicational Use of Transition Metal Phosphates</title>
    <abstract language="eng">Industrial and agricultural waste streams (waste water, sludges, tailings, etc.) which contain high concentrations of NH4+, PO43–, and transition metals are environmentally harmful and toxic pollutants. At the same time, phosphorous and transition metals constitute highly valuable resources. Typically, separate pathways have been considered to extract hazardous transition metals or phosphate independently from each other. Investigations on the simultaneous removal of multiple components have been carried out only to a limited extent. Here, we report the synthesis routes for Ni- and Co-struvites (NH4MPO4·6H2O, M = Ni2+ and Co2+), which allow for P, ammonia, and metal co-precipitation. By evaluating different reaction parameters, the phase and stability of transition metal struvites as well as their crystal morphologies and sizes could be optimized. Ni-struvite is stable in a wide reactant concentration range and at different metal/phosphorus (M/P) ratios, whereas Co-struvite only forms at low M/P ratios. Detailed investigations of the precipitation process using ex situ and in situ techniques provided insights into the crystallization mechanisms/crystal engineering of these materials. M-struvites crystallize via intermediate colloidal amorphous nanophases, which subsequently aggregate and condense to final crystals after extended reaction times. However, the exact reaction kinetics of the formation of a final crystalline product varies significantly depending on the involved metal cation in the precipitation process: several seconds (Mg) to minutes (Ni) to hours (Co). The achieved level of control over the morphology and size makes precipitation of transition metal struvites a promising method for direct metal recovery and binding them in the form of valuable phosphate raw materials. Under this paradigm, the crystals can be potentially up-cycled as precursor powders for electrochemical or (electro)catalytic applications, which require transition metal phosphates.</abstract>
    <parentTitle language="eng">Crystal Growth &amp; Design</parentTitle>
    <identifier type="doi">10.1021/acs.cgd.2c00284</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">18.07.2022</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Stephanos Karafiludis</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Z. Kochovski</author>
    <author>Ines Feldmann</author>
    <author>Franziska Emmerling</author>
    <author>Tomasz Stawski</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Struvite</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nickel</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cobalt</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phosphorous recovery</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Up-cycling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Aqueous synthesis</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
    <collection role="institutes" number="">4 Material und Umwelt</collection>
    <collection role="institutes" number="">4.2 Material-Mikrobiom Wechselwirkungen</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Umwelt</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>36434</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2072</pageFirst>
    <pageLast>2081</pageLast>
    <pageNumber/>
    <edition/>
    <issue>13-14</issue>
    <volume>2016</volume>
    <type>article</type>
    <publisherName>Wiley-VCH Verlag GmbH &amp; Co. KGaA</publisherName>
    <publisherPlace>Weinheim, Germany</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Hydrate networks under mechanical stress – A case study for Co3(PO4)2·8H2O</title>
    <abstract language="eng">The nature of the bound water in solids with hydrogen-bonded networks depends not only on temperature and pressure but also on the nature of the constituents. The collapse and reorientation of these network structures determines the stability of hydrated solids and transitions to other crystalline or amorphous phases. Here, we study the mechanochemically induced loss of bound water in Co₃(PO₄)₂·8H₂O and compare this process to the behavior under hydrostatic pressure.&#13;
The associated phase transition and its kinetics were monitored by X-ray powder diffraction with Synchrotron radiation and quantitative IR spectroscopy. High shearing forces are responsible for the degradation of the hydrogen-bonded network and the concomitant crystalline–amorphous transformation. UV/Vis spectroscopy, extended X-ray absorption spectroscopy (EXAFS), and X-ray absorption near-edge spectroscopy (XANES) provided information about the short-range order in the amorphous solid, and thermal analysis revealed its composition and showed that the moderate charge densities of the Co²⁺ and PO₄³⁻ ions, which make the hydration enthalpy comparable to the binding energy of the counteranions, and the Formation of hydrogen-bonded networks favor multistage crystallization processes associated with the release and uptake of coordinated water. The changes of the Co²⁺ coordination induce a color change from pink to blue; therefore, Co₃(PO₄)₂·8H₂O can be used as an overheat temperature indicator.</abstract>
    <parentTitle language="eng">European Journal of Inorganic Chemistry</parentTitle>
    <identifier type="doi">10.1002/ejic.201501481</identifier>
    <identifier type="issn">1434-1948</identifier>
    <identifier type="issn">1099-0682</identifier>
    <enrichment key="date_peer_review">21.06.2016</enrichment>
    <author>S. Bach</author>
    <author>E. Visnow</author>
    <author>M. Panthöfer</author>
    <author>T. Gorelik</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>A. Gulo</author>
    <author>U. Kolb</author>
    <author>Franziska Emmerling</author>
    <author>C. Lind</author>
    <author>W. Tremel</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Amorphous materials</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Hydrates</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cobalt</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phosphates</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>35137</id>
    <completedYear/>
    <publishedYear>2015</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>8463</pageFirst>
    <pageLast>8470</pageLast>
    <pageNumber/>
    <edition/>
    <issue>44</issue>
    <volume>17</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace>London, UK</publisherPlace>
    <creatingCorporation>Royal Society of Chemistry</creatingCorporation>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Time-resolved in situ studies on the formation mechanism of iron oxide nanoparticles using combined fast-XANES and SAXS</title>
    <abstract language="eng">The reaction of iron chlorides with an alkaline reagent is one of the most prominent methods for the synthesis of iron oxide nanoparticles. We studied the particle formation mechanism using triethanolamine as reactant and stabilizing agent. In situ fast-X-ray absorption near edge spectroscopy and small-angle X-ray scattering provide information on the oxidation state and the structural information at the same time. In situ data were complemented by ex situ transmission electron microscopy, wide-angle X-ray scattering and Raman analysis of the formed nanoparticles. The formation of maghemite nanoparticles (γ-Fe2O3) from ferric and ferrous chloride was investigated. Prior to the formation of these nanoparticles, the formation and conversion of intermediate phases (akaganeite, iron(II, III) hydroxides) was observed which undergoes a morphological and structural collapse. The thus formed small magnetite nanoparticles (Fe3O4) grow further and convert to maghemite with increasing reaction time.</abstract>
    <parentTitle language="eng">CrystEngComm</parentTitle>
    <identifier type="old">38291</identifier>
    <identifier type="doi">10.1039/C5CE01585E</identifier>
    <identifier type="issn">1466-8033</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-351376</identifier>
    <enrichment key="date_peer_review">17.12.2015</enrichment>
    <licence>Creative Commons - Namensnennung 3.0</licence>
    <author>Anke Kabelitz</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Maike Joester</author>
    <author>Uwe Reinholz</author>
    <author>Martin Radtke</author>
    <author>Ralf Bienert</author>
    <author>K. Schulz</author>
    <author>R. Schmack</author>
    <author>R. Kraehnert</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>oxidation state</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>structural information</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>maghemite</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/35137/Time-resolved in situ studies on the formation mechanism of iron oxide nanoparticles using combined fast-XANES and SAXS_Kabelitz.pdf</file>
  </doc>
  <doc>
    <id>36394</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>9460</pageFirst>
    <pageLast>9467</pageLast>
    <pageNumber/>
    <edition/>
    <issue>23</issue>
    <volume>45</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The structure and in situ synthesis investigation of isomorphic mononuclear molecular metal phenylphosphonates</title>
    <abstract language="eng">We describe a fast and effective synthesis for molecular metal phosphonates. Isomorphic compounds [M(II)(HO₃PPh)₂(H₂O₃PPh)₂(H₂O)₂] (M = Mn (1), Co (2), Ni (3); Ph = C₆H₅) were obtained by grinding. The complexes are mononuclear compounds containing neutral and monodeprotonated phenylphosphonic acid and water as ligands. The crystal structures were determined using powder X-ray diffraction (PXRD) data and validated by extended X-ray absorption fine structure (EXAFS) data. Combined synchrotron XRD measurements and Raman spectroscopy were conducted for investigating the reactions in situ. Based on these data, the intermediates were characterized and the formation mechanism was derived.</abstract>
    <parentTitle language="eng">Dalton Transactions</parentTitle>
    <identifier type="doi">10.1039/c6dt00787b</identifier>
    <identifier type="issn">1477-9226</identifier>
    <identifier type="issn">1477-9234</identifier>
    <identifier type="issn">1364-5447</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-363944</identifier>
    <enrichment key="date_peer_review">25.07.2016</enrichment>
    <licence>Creative Commons - Namensnennung - Nicht kommerziell 3.0</licence>
    <author>Manuel Wilke</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Uwe Reinholz</author>
    <author>Klaus Rademann</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Metal phosphonate</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XRD</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/36394/Wilke_et_al - The structure and in situ synthesis investigation of isomorphic mononuclear molecular metal phenylphosphonates.pdf</file>
  </doc>
  <doc>
    <id>37089</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>769</pageFirst>
    <pageLast>776</pageLast>
    <pageNumber/>
    <edition/>
    <issue>23</issue>
    <volume/>
    <type>article</type>
    <publisherName>International Union of Crystallography</publisherName>
    <publisherPlace>Chester, UK</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Time- &amp; spatial-resolved X-ray absorption fine structure (XAFS) spectroscopy in a single-shot – new analytical possibilities for in situ material characterization</title>
    <abstract language="eng">A new concept that comprises both time- and lateral-resolved X-ray absorption fine-structure information simultaneously in a single shot is presented. This uncomplicated set-up was tested at the BAMline at BESSY-II (Berlin, Germany). The primary broadband beam was generated by a double multilayer monochromator. The transmitted beam through the sample is diffracted by a convexly bent Si (111) crystal, producing a divergent beam. This, in turn, is collected by either an energy-sensitive area detector, the so-called color X-ray camera, or by an area-sensitive detector based on a CCD camera, in θ-2θ geometry. The first tests were performed with thin metal foils and some iron oxide mixtures. A time resolution of lower than 1 s together with a spatial resolution in one dimension of at least 50 µm is achieved.</abstract>
    <parentTitle language="eng">Journal of Synchrotron Radiation</parentTitle>
    <identifier type="doi">10.1107/S1600577516003969</identifier>
    <identifier type="issn">1600-5775</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-370892</identifier>
    <licence>Creative Commons - Namensnennung 3.0</licence>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>Uwe Reinholz</author>
    <author>Heinrich Riesemeier</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Time resolution</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Single-shot XAFS</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/37089/jsy2rv5048_Time and spatial resolved XAFS spectroscopy_2016.pdf</file>
  </doc>
  <doc>
    <id>65094</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>19</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>preprint</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Lithium isotope fractionation as an early indicator of degradation mechanisms in lithium-ion batteries</title>
    <abstract language="eng">Aging in lithium-ion batteries (LIBs) degrades performance and hinders sustainability, demanding advanced diagnostics for early failure prediction. We investigate lithium isotope fractionation (LIF) as an innovative probe of degradation in lithium cobalt oxide (LCO) coin cells aged over 0−700 cycles. High-precision multi-collector inductively coupled plasma mass spectrometry (MC-ICP-MS) quantified δ7Li variations across cell stages: non-cycled (0 cycles), newly formed (5 cycles), semi-aged (250 cycles), and fully aged (700 cycles). During early cycling (≤ 45 cycles), chemical processes drive 7Li enrichment at the anode (δ7Li vs LSVEC = +12 ‰) through solid electrolyte interphase (SEI) formation, while the cathode depletes in 7Li (δ7Li vs LSVEC = −0.7 ‰). Beyond 45 cycles, electric field-induced migration predominates, promoting 6Li intercalation into the anode and increasing the δ7Li of the cathode by 8.1 ‰. Mass balance verifies isotope conservation, attributing shifts to redistribution and trapping. Complementary electrochemical impedance spectroscopy (EIS) and X-ray absorption spectroscopy and diffraction confirm SEI expansion, cobalt oxidation, lattice shrinkage, and changes in electrode structure, corroborating LIF trends. Notably, a δ7Li inflection at approximately 270 cycles anticipates end-of-life by 70 cycles, surpassing traditional methods in sensitivity. LIF emerges as a predictive indicator of aging mechanisms, informing optimized designs for durable LIBs.</abstract>
    <parentTitle language="eng">ChemRxiv</parentTitle>
    <identifier type="doi">10.26434/chemrxiv-2025-16lvq</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-650945</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Dalia Morcillo</author>
    <author>Marcus Oelze</author>
    <author>Pranav Seena Prem</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Franziska Emmerling</author>
    <author>Sebastian Recknagel</author>
    <author>Ulrich Panne</author>
    <author>Carlos Enrique Abad Andrade</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lithium isotope fractionation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lithium-ion batteries</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Degradation mechanisms</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>LiCoO2 cathodes</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>LCO</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Isotopic tracing</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lithium isotopes</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">P Präsident</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.1 Anorganische Spurenanalytik</collection>
    <collection role="institutes" number="">1.6 Anorganische Referenzmaterialien und Gasanalytik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="literaturgattung" number="">Graue Literatur</collection>
    <collection role="institutes" number="">P.0 Präsident und andere</collection>
    <collection role="unnumberedseries" number="">Preprints der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/65094/Manuscript_LIF_final_preprint.pdf</file>
  </doc>
  <doc>
    <id>51518</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1423</pageFirst>
    <pageLast>1434</pageLast>
    <pageNumber/>
    <edition/>
    <issue>7</issue>
    <volume>35</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace>United Kingdom</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Comparison of three reconstruction methods based on deconvolution, iterative algorithm and neural network for X-ray fluorescence imaging with coded apertures</title>
    <abstract language="eng">X-ray imaging methods are used in many fields of research, as they allow a non-destructive Investigation of the elemental content of various samples. As for every imaging method, for X-ray imaging the optics are of crucial importance. However, these optics can be very expensive and laborious to build, as the requirements on surface roughness and precision are extremely high. Angles of reflection and refraction are often in the range of a few mrad, making a compact design hard to achieve. In this work we present a possibility to simplify X-ray imaging. We have adapted the coded aperture method, a high energy radiation imaging method that has its origins in astrophysics, to full field X-ray fluorescence imaging. In coded aperture imaging, an object is projected through a known mask, the coded aperture, onto an area sensitive detector. The resulting image consists of overlapping projections of the object and a reconstruction step is necessary to obtain the information from the recorded image. We recorded fluorescence images of different samples with an energy-dispersive 2D detector (pnCCD) and investigated different reconstruction methods. With a small coded aperture with 12 holes we could significantly increase the count rate compared to measurements with a straight polycapillary optic. We show that the reconstruction of two different samples is possible with a deconvolution approach, an iterative algorithm and a neural network. These results demonstrate that X-ray fluorescence imaging with coded apertures has the potential  to deliver good results without scanning and with an improved count rate, so that measurement times can be shortened compared to established methods.</abstract>
    <parentTitle language="eng">Journal of Analytical Atomic Spectrometry</parentTitle>
    <identifier type="doi">10.1039/d0ja00146e</identifier>
    <enrichment key="date_peer_review">05.11.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Anicó Kulow</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Uwe Reinholz</author>
    <author>Franziska Emmerling</author>
    <author>S. Hampel</author>
    <author>U.E.A. Fittschen</author>
    <author>C. Streli</author>
    <author>Martin Radtke</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray fluorescence imaging</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Coded apertures</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Imaging</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Elemental mapping</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Image reconstruction</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>57824</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>22</pageLast>
    <pageNumber/>
    <edition/>
    <issue>24</issue>
    <volume>158</volume>
    <type>article</type>
    <publisherName>AIP Publishing</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
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    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">BAMline - A real-life sample materials research beamline</title>
    <abstract language="eng">With increasing demand and environmental concerns, researchers are exploring new materials that can perform as well or better than traditional materials while reducing environmental impact. The BAMline, a real-life sample materials research beamline, provides unique insights into materials’ electronic and chemical structure at different time and length scales. The beamline specializes in x-ray absorption spectroscopy, x-ray fluorescence spectroscopy, and tomography experiments. This enables real-time optimization of material properties and performance for various applications, such as energy transfer, energy storage, catalysis, and corrosion resistance. This paper gives an overview of the analytical methods and sample environments of the BAMline, which cover non-destructive testing experiments in materials science, chemistry, biology, medicine, and cultural heritage. We also present our own synthesis methods, processes, and equipment developed specifically for the BAMline, and we give examples of synthesized materials and their potential applications. Finally, this article discusses the future perspectives of the BAMline and its potential for further advances in sustainable materials research.</abstract>
    <parentTitle language="eng">The Journal of Chemical Physics</parentTitle>
    <identifier type="doi">10.1063/5.0157194</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">03.07.2023</enrichment>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>Kirill Yusenko</author>
    <author>Tomasz Stawski</author>
    <author>Anicó Kulow</author>
    <author>Cafer Tufan Cakir</author>
    <author>Bettina Röder</author>
    <author>Christoph Naese</author>
    <author>Ralf Britzke</author>
    <author>Michael Sintschuk</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Extended X-ray absorption fine structure</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Energy storage</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Environmental impacts</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nondestructive testing techniques</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray fluorescence spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Corrosion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Near edge X-ray absorption fine structure spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray absorption spectroscopy</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="ddc" number="621">Angewandte Physik</collection>
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    <collection role="institutes" number="">8 Zerstörungsfreie Prüfung</collection>
    <collection role="institutes" number="">8.5 Röntgenbildgebung</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Degradationsmechanismen</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
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    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>47695</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
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    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
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    <title language="eng">Structure analytics with Hard X-rays at the BAMline and µSpot beamlines</title>
    <abstract language="eng">An overview of the research areas at the structure analysis division is given. Specifically the in situ characterization of dynamic processes with hard X-ray diffraction and absorption spectroscopy at the BAMline and µSpot beamlines (BESSY-II).</abstract>
    <enrichment key="eventName">BAM-IFW Workshop</enrichment>
    <enrichment key="eventPlace">Dresden, Germany</enrichment>
    <enrichment key="eventStart">28.03.2019</enrichment>
    <enrichment key="eventEnd">29.03.2019</enrichment>
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    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Structure analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray Spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synchrotron</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Beamline</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Material characterization</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>50468</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>517</pageFirst>
    <pageLast>528</pageLast>
    <pageNumber/>
    <edition/>
    <issue>2</issue>
    <volume>10</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Operando diffuse reflectance UV-vis spectroelectrochemistry for investigating oxygen evolution electrocatalysts</title>
    <abstract language="eng">The characterization of the active structure of water-splitting catalysts is crucial to evolve to a sustainable energy future based on hydrogen. Such information can only be obtained by operando methods. We present a diffuse reflectance UV-vis (DRUV) spectroelectrochemical study that allows tracking the changes of solid oxygen evolution catalysts under working conditions. The versatility of our approach is demonstrated on two cobalt-containing catalysts, Zn0.35Co0.65O and CoAl2O4. The changes the catalysts undergo during the oxygen evolution reaction can be tracked by probing the electronic structure using UV-vis spectroscopy. These findings are compared to ex situ analyses, which support the assignments of the structures stabilized under different potentials. Thus, structure–activity correlations can be proposed, and deeper insights into the catalytically active structures can be obtained.</abstract>
    <parentTitle language="eng">Catalysis Science &amp; Technology</parentTitle>
    <identifier type="doi">10.1039/c9cy02329a</identifier>
    <enrichment key="date_peer_review">27.02.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>S. Wahl</author>
    <author>S. M. El-Refaei</author>
    <author>P. Amsalem</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>N. Koch</author>
    <author>N. Pinna</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>EXAFS</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>38370</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>769</pageFirst>
    <pageLast>776</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>23</volume>
    <type>article</type>
    <publisherName>International Union of Crystallography</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Time- and spatial-resolved X-ray absorption fine structure (XAFS) spectroscopy in a single-shot: new analytical possibilities for in situ material characterization</title>
    <abstract language="eng">A new concept that comprises both time- and lateral-resolved X-ray absorption fine-structure information simultaneously in a single shot is presented. This uncomplicated set-up was tested at the BAMline at BESSY-II (Berlin, Germany). The primary broadband beam was generated by a double multilayer monochromator. The transmitted beam through the sample is diffracted by a convexly bent Si (111) crystal, producing a divergent beam. This, in turn, is collected by either an energy-sensitive area detector, the so-called color X-ray camera, or by an area-sensitive detector based on a CCD camera, in θ-2θ geometry. The first tests were performed with thin metal foils and some iron oxide mixtures. A time resolution of lower than 1 s together with a spatial resolution in one dimension of at least 50 µm is achieved.</abstract>
    <parentTitle language="eng">Journal of Synchrotron Radiation</parentTitle>
    <identifier type="doi">10.1107/S1600577516003969</identifier>
    <identifier type="issn">1600-5775</identifier>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <author>Uwe Reinholz</author>
    <author>Heinrich Riesemeier</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Single-shot XAFS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Time resolution</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Spatial resolution</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Divergent XAFS</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Eigenverlag BAM</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>61739</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>14</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Wiley</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Synergistic Catalytic Sites in High‐Entropy Metal Hydroxide Organic Framework for Oxygen Evolution Reaction</title>
    <abstract language="eng">AbstractThe integration of multiple elements in a high‐entropy state is crucial in the design of high‐performance, durable electrocatalysts. High‐entropy metal hydroxide organic frameworks (HE‐MHOFs) are synthesized under mild solvothermal conditions. This novel crystalline metal–organic framework (MOF) features a random, homogeneous distribution of cations within high‐entropy hydroxide layers. HE‐MHOF exhibits excellent electrocatalytic performance for the oxygen evolution reaction (OER), reaching a current density of 100 mA cm−2 at ≈1.64 VRHE, and demonstrates remarkable durability, maintaining a current density of 10 mA cm−2 for over 100 h. Notably, HE‐MHOF outperforms precious metal‐based electrocatalysts despite containing only ≈60% OER active metals. Ab initio calculations and operando X‐ray absorption spectroscopy (XAS) demonstrate that the high‐entropy catalyst contains active sites that facilitate a multifaceted OER mechanism. This study highlights the benefits of high‐entropy MOFs in developing noble metal‐free electrocatalysts, reducing reliance on precious metals, lowering metal loading (especially for Ni, Co, and Mn), and ultimately reducing costs for sustainable water electrolysis technologies.</abstract>
    <parentTitle language="eng">Advanced Materials</parentTitle>
    <identifier type="doi">10.1002/adma.202408114</identifier>
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