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    <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>
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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. 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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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    <title language="eng">Time-, space- and energy-resolved &lt;i&gt;in situ&lt;/i&gt; characterization of catalysts by X-ray absorption spectroscopy</title>
    <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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    <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>
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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>
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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>
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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>
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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>
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    <author>Thoralf Krahl</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
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      <value>SrF2</value>
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      <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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    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
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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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    <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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    <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>
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J."},{"key":"D3SC06081K\/cit34\/1","doi-asserted-by":"crossref","first-page":"351","DOI":"10.1016\/S0022-1139(00)80330-9","volume":"59","author":"Meinert","year":"1992","journal-title":"J. Fluorine Chem."},{"key":"D3SC06081K\/cit35\/1","first-page":"1","volume-title":"Proceedings of the Symposium on Electrochemistry in the Preparation of Fluorine and Its Compounds","volume":"97-15","author":"Whalen","year":"1997","unstructured":"J. M.Whalen ,  L. C.Chacon  and  N.Bartlett , in  Proceedings of the Symposium on Electrochemistry in the Preparation of Fluorine and Its Compounds , ed.  W. V. Childs  and  T. Fuchigami ,  Electrochemical Society ,  Pennington, NJ ,  1997 ,  vol. 97-15 ,  pp. 1\u201312"},{"key":"D3SC06081K\/cit36\/1","doi-asserted-by":"crossref","first-page":"1049","DOI":"10.1039\/CC9960001049","author":"Bartlett","year":"1996","journal-title":"Chem. Commun."},{"key":"D3SC06081K\/cit37\/1","doi-asserted-by":"crossref","first-page":"10025","DOI":"10.1021\/ja00145a013","volume":"117","author":"\u017demva","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"D3SC06081K\/cit38\/1","first-page":"557","volume":"2","author":"Shen","year":"1999","journal-title":"C. R. Acad. Sci. Ser. II"},{"key":"D3SC06081K\/cit39\/1","doi-asserted-by":"crossref","first-page":"E262","DOI":"10.1149\/1.1369371","volume":"148","author":"Totir","year":"2001","journal-title":"J. Electrochem. Soc."},{"key":"D3SC06081K\/cit40\/1","doi-asserted-by":"crossref","first-page":"4212","DOI":"10.1149\/1.1394043","volume":"147","author":"Totir","year":"2000","journal-title":"J. Electrochem. Soc."},{"key":"D3SC06081K\/cit41a\/1","first-page":"466","volume":"15","author":"Noel","year":"1999","journal-title":"Bull. Electrochem."},{"key":"D3SC06081K\/cit41b\/1","doi-asserted-by":"crossref","first-page":"2472","DOI":"10.1021\/ic50081a045","volume":"8","author":"Stein","year":"1969","journal-title":"Inorg. Chem."},{"key":"D3SC06081K\/cit41c\/1","doi-asserted-by":"crossref","first-page":"557","DOI":"10.1016\/S0022-1139(00)82002-3","volume":"35","author":"Wasser","year":"1987","journal-title":"J. Fluorine Chem."},{"key":"D3SC06081K\/cit41d\/1","doi-asserted-by":"crossref","first-page":"103","DOI":"10.1016\/S0022-1139(00)80509-6","volume":"32","author":"Drakesmith","year":"1986","journal-title":"J. Fluorine Chem."},{"key":"D3SC06081K\/cit41e\/1","doi-asserted-by":"crossref","first-page":"205","DOI":"10.1016\/S0022-1139(00)84953-2","volume":"22","author":"Watanabe","year":"1983","journal-title":"J. Fluorine Chem."},{"key":"D3SC06081K\/cit41f\/1","doi-asserted-by":"crossref","first-page":"423","DOI":"10.1016\/S0022-1139(00)82246-0","volume":"17","author":"Lines","year":"1981","journal-title":"J. Fluorine Chem."},{"key":"D3SC06081K\/cit41g\/1","doi-asserted-by":"crossref","first-page":"461","DOI":"10.1016\/0013-4686(80)87038-1","volume":"25","author":"Watanabe","year":"1980","journal-title":"Electrochim. Acta"},{"key":"D3SC06081K\/cit41h\/1","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1016\/S0022-1139(00)83993-7","volume":"7","author":"Haruta","year":"1976","journal-title":"J. Fluorine Chem."},{"key":"D3SC06081K\/cit41i\/1","doi-asserted-by":"crossref","first-page":"1317","DOI":"10.1016\/0013-4686(72)80016-1","volume":"17","author":"Chang","year":"1972","journal-title":"Electrochim. Acta"},{"key":"D3SC06081K\/cit41j\/1","doi-asserted-by":"crossref","first-page":"1179","DOI":"10.1016\/0013-4686(71)85106-X","volume":"16","author":"Chang","year":"1971","journal-title":"Electrochim. Acta"},{"key":"D3SC06081K\/cit41k\/1","doi-asserted-by":"crossref","first-page":"1042","DOI":"10.1149\/1.2410864","volume":"115","author":"Donohue","year":"1968","journal-title":"J. Electrochem. Soc."},{"key":"D3SC06081K\/cit41l\/1","doi-asserted-by":"crossref","first-page":"535","DOI":"10.1016\/0013-4686(67)80022-7","volume":"12","author":"Hackerman","year":"1967","journal-title":"Electrochim. Acta"},{"key":"D3SC06081K\/cit41m\/1","first-page":"144","volume-title":"Proceedings of the Symposium on Electrochemistry in the Preparation of Fluorine and Its Compounds","author":"Tasaka","year":"1997","unstructured":"A.Tasaka ,  M.Yamanaka ,  T.Osada  and  T.Kawagoe , in  Proceedings of the Symposium on Electrochemistry in the Preparation of Fluorine and Its Compounds , ed.  W. V. Childs  and  T. Fuchigami ,  Electrochemical Society ,  Pennington, NJ ,  1997 ,  pp. 144\u2013157"},{"key":"D3SC06081K\/cit41n\/1","doi-asserted-by":"crossref","first-page":"1160","DOI":"10.1149\/1.1838432","volume":"145","author":"Tasaka","year":"1998","journal-title":"J. Electrochem. Soc."},{"key":"D3SC06081K\/cit42\/1","doi-asserted-by":"crossref","first-page":"10781","DOI":"10.1002\/chem.202000881","volume":"26","author":"Mattsson","year":"2020","journal-title":"Chem.\u2013Eur. J."},{"key":"D3SC06081K\/cit43\/1","doi-asserted-by":"crossref","first-page":"1982","DOI":"10.1002\/(SICI)1521-3749(1998120)624:12&lt;1982::AID-ZAAC1982&gt;3.0.CO;2-4","volume":"624","author":"Hector","year":"1998","journal-title":"Z. Anorg. Allg. Chem."},{"key":"D3SC06081K\/cit44\/1","doi-asserted-by":"crossref","first-page":"469","DOI":"10.1515\/znb-2022-0072","volume":"77","author":"Lindi\u010d","year":"2022","journal-title":"Z. Naturforsch., B"},{"key":"D3SC06081K\/cit45\/1","doi-asserted-by":"crossref","first-page":"1190","DOI":"10.1002\/jcc.25777","volume":"40","author":"Mattsson","year":"2019","journal-title":"J. Comput. Chem."},{"key":"D3SC06081K\/cit46\/1","doi-asserted-by":"crossref","first-page":"1561","DOI":"10.1016\/0022-1902(74)80623-8","volume":"36","author":"Taylor","year":"1974","journal-title":"J. Inorg. Nucl. Chem"}],"container-title":["Chemical Science"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2024\/SC\/D3SC06081K","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,4,18]],"date-time":"2024-04-18T02:42:18Z","timestamp":1713408138000},"score":1,"resource":{"primary":{"URL":"https:\/\/xlink.rsc.org\/?DOI=D3SC06081K"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024]]},"references-count":62,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2024,3,20]]}},"URL":"http:\/\/dx.doi.org\/10.1039\/d3sc06081k","relation":{},"ISSN":["2041-6520","2041-6539"],"issn-type":[{"value":"2041-6520","type":"print"},{"value":"2041-6539","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024]]}}}</enrichment>
    <enrichment key="local_crossrefDocumentType">journal-article</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">21.08.2024</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>Gene Senges</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Tilen Lindič</author>
    <author>Tyler A. Gully</author>
    <author>Marlon Winter</author>
    <author>Martin Radtke</author>
    <author>Bettina Röder</author>
    <author>Simon Steinhauer</author>
    <author>Beate Paulus</author>
    <author>Franziska Emmerling</author>
    <author>Sebastian Riedel</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>
    <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/60836/d3sc06081k.pdf</file>
  </doc>
  <doc>
    <id>55286</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>4305</pageFirst>
    <pageLast>4315</pageLast>
    <pageNumber/>
    <edition/>
    <issue>7</issue>
    <volume>22</volume>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace>Washington D.C.</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <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>
    <publishedDate>--</publishedDate>
    <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>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <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>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <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>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <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>
    <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>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>
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      <value>Time resolution</value>
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    <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>
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This novel crystalline metal\u2013organic framework (MOF) features a random, homogeneous distribution of cations within high\u2010entropy hydroxide layers. HE\u2010MHOF exhibits excellent electrocatalytic performance for the oxygen evolution reaction (OER), reaching a current density of 100\u00a0mA cm&lt;jats:sup&gt;\u22122&lt;\/jats:sup&gt; at \u22481.64 V&lt;jats:sub&gt;RHE&lt;\/jats:sub&gt;, and demonstrates remarkable durability, maintaining a current density of 10\u00a0mA cm&lt;jats:sup&gt;\u22122&lt;\/jats:sup&gt; for over 100 h. Notably, HE\u2010MHOF outperforms precious metal\u2010based electrocatalysts despite containing only \u224860% OER active metals. Ab initio calculations and operando X\u2010ray absorption spectroscopy (XAS) demonstrate that the high\u2010entropy catalyst contains active sites that facilitate a multifaceted OER mechanism. This study highlights the benefits of high\u2010entropy MOFs in developing noble metal\u2010free electrocatalysts, reducing reliance on precious metals, lowering metal loading (especially for Ni, Co, and Mn), and ultimately reducing costs for sustainable water electrolysis technologies.&lt;\/jats:p&gt;","DOI":"10.1002\/adma.202408114","type":"journal-article","created":{"date-parts":[[2024,11,15]],"date-time":"2024-11-15T04:24:31Z","timestamp":1731644671000},"update-policy":"http:\/\/dx.doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Synergistic Catalytic Sites in High\u2010Entropy Metal Hydroxide Organic Framework for Oxygen Evolution Reaction"],"prefix":"10.1002","author":[{"ORCID":"http:\/\/orcid.org\/0000-0002-2425-5003","authenticated-orcid":false,"given":"Arkendu","family":"Roy","sequence":"first","affiliation":[{"name":"Federal Institute of Materials Research and Testing (BAM)  Richard\u2010Willst\u00e4tter\u2010Str 11 12489 Berlin 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    <author>Arkendu Roy</author>
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    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Carsten Prinz</author>
    <author>Emilia Götz</author>
    <author>Anika Retzmann</author>
    <author>Tilmann Hickel</author>
    <author>Biswajit Bhattacharya</author>
    <author>Franziska Emmerling</author>
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      <value>Electrocatalysis</value>
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      <language>eng</language>
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      <value>Green Hydrogen</value>
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    <title language="eng">Time resolved in situ monitoring of mechanochemical transformations by X-ray 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>
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      <value>Dipsersive XAS</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Time-resolved</value>
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    <subject>
      <language>eng</language>
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      <value>In situ</value>
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    <publishedYear>2022</publishedYear>
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    <pageFirst>57</pageFirst>
    <pageLast>70</pageLast>
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    <volume>65</volume>
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    <publisherName>Cambridge University Press</publisherName>
    <publisherPlace>Cambridge</publisherPlace>
    <creatingCorporation>International Centre for Diffraction Data</creatingCorporation>
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    <title language="eng">Reconstruction for coded aperture full-field x-ray fluorescence imaging</title>
    <abstract language="eng">X-ray fluorescence imaging is a well-established tool in materials characterization. In this work, we present the adaption of coded aperture imaging to full-field X-ray fluorescence imaging at the synchrotron. Coded aperture imaging has its origins in astrophysics, and has several advantages: Coded apertures are relatively easy to fabricate, achromatic, allow a high photon throughput, and high angular acceptance. Coded aperture imaging is a two-step-process, consisting of the measurement process and a reconstruction step. Different programs have been written, for the raytracing/forward projection and the reconstruction. Experiments with coded aperture in combination with a Color X-ray Camera and an energy-dispersive area detector, have been conducted at the BAMline. Measured samples were successfully reconstructed, and gave a 9.1-fold increase in count rate compared to a polycapillary optic.</abstract>
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    <identifier type="issn">1097-0002</identifier>
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    <author>Anicó Kulow</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Uwe Reinholz</author>
    <author>Franziska Emmerling</author>
    <author>S. Hampel</author>
    <author>UEA Fittschen</author>
    <author>C. Streli</author>
    <author>Martin Radtke</author>
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      <value>Synchrotron</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BAMline</value>
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  </doc>
  <doc>
    <id>56257</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">Time resolved in situ monitoring of mechanochemical transformations by X-ray 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">Denver X-ray Conference: DXC 2021</enrichment>
    <enrichment key="eventPlace">Online meeting</enrichment>
    <enrichment key="eventStart">02.08.2021</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="eventEnd">06.08.2021</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>Dispersive 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>54014</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">X-Ray absorption spectroscopy to study multicomponent materials</title>
    <abstract language="eng">Detailed study of multicomponent systems in solid-state as well as in solution using X-ray diffraction and X-ray spectroscopy is one of the most common topics in modern materials chemistry. 5-6 component high-entropy alloys such as fcc- and bcc-structured AlxCoCrFeNi and fluorescent nanoparticles based on fluorite-structured SrF2 doped by rare-earth metals in organic solutions have high complexity and their local structure cannot be resolved using only diffraction. X-ray absorption spectroscopy should be applied to understand peculiarities in their local structure and make a link between structure on short and long ranges and their macroscopic properties. Here, based on two representativee examples, we discuss how a combination of several X-ray absorption edges might give new insights into complex materials.</abstract>
    <enrichment key="eventName">Virtual meeting of the African Light Source</enrichment>
    <enrichment key="eventPlace">Online meeting</enrichment>
    <enrichment key="eventStart">15.11.2021</enrichment>
    <enrichment key="eventEnd">19.11.2021</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <enrichment key="InvitedTalks">0</enrichment>
    <author>Kirill Yusenko</author>
    <author>Franziska Emmerling</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>EXAFS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synchrotron studies</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>57823</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>4810</pageFirst>
    <pageLast>4818</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>95</volume>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Exploring the Depths of Corrosion: A Novel GE-XANES Technique for Investigating Compositionally Complex Alloys</title>
    <abstract language="eng">In this study, we propose the use of nondestructive, depth-resolved, element-specific characterization using grazing exit X-ray absorption near-edge structure spectroscopy (GE-XANES) to investigate the corrosion process in compositionally complex alloys (CCAs). By combining grazing exit X-ray fluorescence spectroscopy (GE-XRF) geometry and a pnCCD detector, we provide a scanning-free, nondestructive, depth-resolved analysis in a sub-micrometer depth range, which is especially relevant for layered materials, such as corroded CCAs. Our setup allows for spatial and energy-resolved measurements and directly extracts the desired fluorescence line, free from scattering events and other overlapping lines. We demonstrate the potential of our approach on a compositionally complex CrCoNi alloy and a layered reference sample with known composition and specific layer thickness. Our findings indicate that this new GE-XANES approach has exciting opportunities for studying surface catalysis and corrosion processes in real-world materials.</abstract>
    <parentTitle language="eng">Analytical Chemistry</parentTitle>
    <identifier type="doi">10.1021/acs.analchem.3c00404</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">03.07.2023</enrichment>
    <author>Cafer Tufan Cakir</author>
    <author>T. Piotrowiak</author>
    <author>Uwe Reinholz</author>
    <author>A. Ludwig</author>
    <author>Franziska Emmerling</author>
    <author>C. Streli</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Degradation mechanisms</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grazin exit XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Depth resolved XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Compositional complex alloys</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Corrosion</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="">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>58073</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>21970</pageFirst>
    <pageLast>21980</pageLast>
    <pageNumber/>
    <edition/>
    <issue>33</issue>
    <volume>25</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">New insights into pertinent Fe-complexes for the synthesis of iron via the instant polyol process</title>
    <abstract language="eng">Chemically synthesized iron is in demand for biomedical applications due to its large saturation magnetization compared to iron oxides. The polyol process, suitable for obtaining Co and Ni particles and their alloys, is laborious in synthesizing Fe. The reaction yields iron oxides, and the reaction pathway remains unexplored. This study shows that a vicinal polyol, such as 1,2-propanediol, is suitable for obtaining Fe rather than 1,3-propanediol owing to the formation of a reducible Fe intermediate complex. X-ray absorption spectroscopy analysis reveals the ferric octahedral geometry and tetrahedral geometry in the ferrous state of the reaction intermediates in 1,2-propanediol and 1,3-propanediol, respectively. The final product obtained using a vicinal polyol is Fe with a γ-Fe2O3 shell, while the terminal polyol is favourable for Fe3O4. The distinct Fe–Fe and Fe–O bond lengths suggest the presence of a carboxylate group and a terminal alkoxide ligand in the intermediate of 1,2-propanediol. A large Fe–Fe bond distance suggests diiron complexes with bidentate carboxylate bridges. Prominent high-spin and low-spin states indicate the possibility of transition, which favors the reduction of iron ions in the reaction using 1,2-propanediol.</abstract>
    <parentTitle language="eng">Physical Chemistry Chemical Physics</parentTitle>
    <identifier type="doi">10.1039/D3CP01969A</identifier>
    <identifier type="issn">1463-9076</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">16.08.2023</enrichment>
    <author>S. K. Somasundaram</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Franziska Emmerling</author>
    <author>S. Krishnan</author>
    <author>K. Senthilkumar</author>
    <author>R.J. Joseyphus</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticle</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="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
  </doc>
  <doc>
    <id>58933</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</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="eng">Characterization of Solid-State Complexes by XAS</title>
    <abstract language="eng">Atomically dispersed metal-nitrogen doped carbons (M-N-C) are&#13;
promising catalysts for the activation of small molecules such as O2&#13;
and CO2. These single atom catalysts (SAC) operate at the interface&#13;
between homogenous and heterogenous catalysts. Currently, many&#13;
examples of M-N-C are known with good oxygen reduction reaction&#13;
activity but lacking a controlled synthesis of the specific active sites of&#13;
the precatalyst. Recently, our group facilitated the synthesis of pure&#13;
pyrrolic M-N4 sites using Zn ions as imprinters.[1] These amorphous&#13;
materials obtained by active site imprinting method are characterized&#13;
at the BAMline (Bessy II) by X-ray absorption spectroscopy (XAS).&#13;
In-situ/operando measurements will be crucial in future work for a&#13;
better understanding of the dynamic changes of the active site.</abstract>
    <enrichment key="eventName">InSynX Workshop 2023</enrichment>
    <enrichment key="eventPlace">Sao Paulo, Brazil</enrichment>
    <enrichment key="eventStart">06.03.2023</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Simon Dietzmann</author>
    <author>Asad Mehmood</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Franziska Emmerling</author>
    <author>Tim-Patrick Fellinger</author>
    <author>A. Thomas</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Solid-State Complexes</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="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
    <collection role="institutes" number="">3.6 Elektrochemische Energiematerialien</collection>
  </doc>
  <doc>
    <id>41516</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>6003</pageFirst>
    <pageLast>6012</pageLast>
    <pageNumber/>
    <edition/>
    <issue>18</issue>
    <volume>46</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Ca- and Sr- tetrafluoroisophthalates: mechanochemical synthesis, characterization, and ab initio structure determination</title>
    <abstract language="eng">New fluorinated coordination polymers were prepared mechanochemically by milling the alkaline earth metal hydroxides MII(OH)2·xH2O (MII: Ca, Sr) with tetrafluoroisophthalic acid (H2mBDC-F4). The structures of [{Ca(mBDC-F4)(H2O)2}·H2O] and [{Sr(mBDC-F4)(H2O)2}·H2O] were determined based on ab initio calculations and their powder X-ray diffraction (PXRD) data. The compounds are isomorphous and crystallize in the orthorhombic space group P212121. The determined structures were validated by using extended X-ray absorption (EXAFS) data. The new materials were thoroughly characterized using elemental analysis, thermal analysis, magic angle spinning NMR, and attenuated total reflection-infrared spectroscopy. Further characterization methods such as BET, dynamic vapor sorption, and scanning electron microscopy imaging were also used. Our investigations indicate that mechanochemistry is an efficient method for preparing such materials.</abstract>
    <parentTitle language="eng">DALTON TRANSACTIONS</parentTitle>
    <identifier type="doi">10.1039/c7dt00734e</identifier>
    <identifier type="url">http://pubs.rsc.org/-/content/articlehtml/2017/dt/c7dt00734e</identifier>
    <enrichment key="date_peer_review">22.08.2017</enrichment>
    <author>Abdal-Azim Al-Terkawi</author>
    <author>G. Scholz</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Stefan Reinsch</author>
    <author>E. Kemnitz</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</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>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Coordination polymers</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>54682</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>7</pageLast>
    <pageNumber/>
    <edition/>
    <issue>27</issue>
    <volume>28</volume>
    <type>article</type>
    <publisherName>Wiley-VCH</publisherName>
    <publisherPlace>Weinheim</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Formation Mechanism of a Nano-Ring of Bismuth Cations and Mono-Lacunary Keggin-Type Phosphomolybdate</title>
    <abstract language="eng">A new hetero-bimetallic polyoxometalate (POM) nano-ring was synthesized in a one-pot procedure. The structure consists of tetrameric units containing four bismuth-substituted monolacunary Keggin anions including distorted [BiO8] cubes. The nano-ring is formed via self-assembly from metal precursors in aqueous acidic medium. The compound (NH4)16[(BiPMo11O39)4] ⋅ 22 H2O; (P4Bi4Mo44) was characterized by single-crystal X-ray diffraction, extended X-ray absorption fine structure spectroscopy (EXAFS), Raman spectroscopy, matrix-assisted laser desorption/ionisation-time of flight mass spectrometry (MALDI-TOF), and thermogravimetry/differential scanning calorimetry mass spectrometry (TG-DSC-MS). The formation of the nano-ring in solution was studied by time-resolved in situ small- and wide-angle X-ray scattering (SAXS/WAXS) and in situ EXAFS measurements at the Mo−K and the Bi−L3 edge indicating a two-step process consisting of condensation of Mo-anions and formation of Bi−Mo-units followed by a rapid self-assembly to yield the final tetrameric ring structure.</abstract>
    <parentTitle language="eng">Chemistry - A European Journal</parentTitle>
    <identifier type="doi">10.1002/chem.202200079</identifier>
    <identifier type="issn">0947-6539</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-546823</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">25.04.022</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Ines Martins</author>
    <author>Dominik Al-Sabbagh</author>
    <author>U. Bentrup</author>
    <author>Julien Marquardt</author>
    <author>Thomas Schmid</author>
    <author>E. Scoppola</author>
    <author>Werner Kraus</author>
    <author>Tomasz Stawski</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Kirill Yusenko</author>
    <author>Steffen Weidner</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bismuth</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ EXAFS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ SAXS/WAXS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lacunary Keggin ion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polyoxometalates</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Self-assembly</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.3 Instrumentelle Analytik</collection>
    <collection role="institutes" number="">1.4 Non-Target-Analytik</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>
    <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/54682/Chemistry A European J - 2022.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/54682/Chemistry A European.pdf</file>
  </doc>
</export-example>
