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    <id>65776</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>13</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>American Chemical Society (ACS)</publisherName>
    <publisherPlace/>
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    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
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    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">One-Dimensional van der Waals Porous Fibrils Assembled from Metal–Organic Polyhedra</title>
    <abstract language="eng">Supramolecular systems exhibit collective functions that emerge from the hierarchical assembly of individual molecular building blocks. Metal−organic polyhedra (MOPs) are a class of functional supramolecular architectures with well-defined molecular geometry and an intrinsic cavity. In recent years, considerable progress has been made in assembling MOPs into extended networks to create porous solids. However, most reported MOP assemblies are limited to three-dimensional networks, which, owing to their high-dimensional connectivity, hinder effective stress dissipation and render them brittle under mechanical stress.&#13;
Here, we report the one-dimensional (1D) self-assembly of MOPs into supramolecular polymeric aerogels that combine permanent microporosity with exceptional mechanical flexibility. The reaction between amino acid-functionalized naphthalenediimide (NDI) linkers and copper salts led to the synthesis of octahedral copper-based MOPs, followed by their spontaneous self-assembly to form supramolecular gels. The corresponding aerogels converted from the gels possessed uniform 1D fibrillar networks (14.8 ± 2.2 nm in width) with intrinsic microporosity derived from individual MOP cavities. The aerogel endured 87% compressive strain without fracture, demonstrating distinct ductility. Furthermore, these fibrils in the supramolecular gels were converted to crystals after 2 weeks. Single-crystal X-ray diffraction revealed that MOPs are arranged via face-to-face interaction between octahedral MOPs to form a 1D helical chain structure. An analysis of the self-assembly process using Hansen solubility parameters unveiled that solvent conditions with high polarity and low dispersion interaction drive the formation of anisotropic assemblies. This work provides a new strategy for tailoring the mechanical properties of supramolecular materials through dimensional control of their assemblies.</abstract>
    <parentTitle language="eng">Journal of the American Chemical Society</parentTitle>
    <identifier type="issn">0002-7863</identifier>
    <identifier type="doi">10.1021/jacs.5c21654</identifier>
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    <author>Ayana Miyata</author>
    <author>Shun Tokuda</author>
    <author>Mako Kuzumoto</author>
    <author>Guan-Sian Lee</author>
    <author>Masataka Yamashita</author>
    <author>Taichi Nishiguchi</author>
    <author>Masaki Negoro</author>
    <author>Brian Richard Pauw</author>
    <author>Yi-Tsu Chan</author>
    <author>Kazuyoshi Kanamori</author>
    <author>Kenji Urayama</author>
    <author>Kunihisa Sugimoto</author>
    <author>Shuhei Furukawa</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Aerogels</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystals</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Metal organic frameworks</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanofibers</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Solvents</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SAXS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanostructure</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Small-angle X-ray scattering</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.5 Synthese und Streuverfahren nanostrukturierter Materialien</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>65722</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2851</pageFirst>
    <pageLast>2857</pageLast>
    <pageNumber/>
    <edition/>
    <issue>3</issue>
    <volume>11</volume>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Depth-Resolved Lithium Isotope Fractionation as a Diagnostic of Interphase Evolution and Degradation in Lithium-Ion Batteries</title>
    <abstract language="eng">Lithium isotopic fractionation is well-established in dynamic geochemical systems; however, its role in lithium-ion batteries (LIBs) remains uninvestigated. Herein, we report the first depth-resolved demonstration that isotopic separation occurs during Li-ion cell operation whose magnitude depends on the cycling history. Using depth-resolved glow discharge mass spectrometry, we monitored the 7Li/6Li ratio in LiNi0.333Mn0.333Co0.333O2 (NMC111)||graphite coin cell electrodes at defined life-cycle stages. Different charging rates were examined to get mechanistic insight into kinetic and thermodynamic control in the fractionation process. Although pristine electrodes exhibit a uniform isotopic ratio, cycled electrodes show a distinct 7Li enrichment in the positive electrode and a corresponding accumulation of 6Li at the surface of the negative electrode. The degree of isotopic separation varies with the charging rate. Isotopic signatures correlate with capacity fading, indicating lithium isotope mapping as a sensitive diagnostic tool for tracking electrode degradation and the evolution of the electrode–electrolyte interphases in LIBs.</abstract>
    <parentTitle language="eng">ACS Energy Letters</parentTitle>
    <identifier type="doi">10.1021/acsenergylett.5c0413737</identifier>
    <identifier type="issn">2380-8195</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-657229</identifier>
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    <enrichment key="date_peer_review">23.03.2026</enrichment>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Beatrice Battistella</author>
    <author>Adam Revill</author>
    <author>Cornel Venzago</author>
    <author>Volker Hoffmann</author>
    <author>Leonardo Agudo Jácome</author>
    <author>Dominik Al-Sabbagh</author>
    <author>Sebastian Recknagel</author>
    <author>Carlos Abad</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lithium-Ion Battery</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Li Isotopes</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Glow Discharge Mass Spectrometry GD-MS</value>
    </subject>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.6 Anorganische Referenzmaterialien und Gasanalytik</collection>
    <collection role="institutes" number="">5 Werkstofftechnik</collection>
    <collection role="institutes" number="">5.1 Mikrostruktur Design und Degradation</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/65722/ACS_Energy_Letters_Battistella_et_al.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/65722/ACS_Energy_Letters_Battistella_et_al_SI.pdf</file>
  </doc>
  <doc>
    <id>65707</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>13</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Royal Society of Chemistry (RSC)</publisherName>
    <publisherPlace/>
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    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
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    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Thermal transport in Ag&lt;sub&gt;8&lt;/sub&gt;&lt;i&gt;T&lt;/i&gt; S&lt;sub&gt;6&lt;/sub&gt;(&lt;i&gt;T&lt;/i&gt;                    = Si, Ge, Sn) argyrodites: an integrated experimental, quantum-chemical, and computational modelling study</title>
    <abstract language="eng">Argyrodite-type Ag-based sulfides combine exceptionally low lattice thermal and high ionic conductivity, making them promising candidates for thermoelectric and solid-state energy applications. In this work, we studied Ag8TS6 (T = Si, Ge, Sn) argyrodite family by combining chemical-bonding analysis, lattice vibrational properties simulation, and experimental measurements to investigate their structural and thermal transport properties. Furthermore, we propose a two-channel lattice-dynamics model based on Grüneisen-derived phonon lifetimes and compare it to an approach using machine-learned interatomic potentials. Both approaches are able to predict thermal conductivity in agreement with experimental lattice thermal conductivities along the whole temperature range, highlighting their potential suitability for future high-throughput predictions. Our findings also reveal a relationship between bond heterogeneity arising from weakly bonded Ag+ ions and occupied antibonding states in Ag–S and Ag–Ag interactions and strong anharmonicity, including large Grüneisen parameters, and low sound velocities, which are responsible for the low lattice thermal conductivity of Ag8SnS6, Ag8GeS6, and Ag8SiS6. We furthermore show that thermal and ionic conductivities in all three compounds are independent of each other and can likely be tuned individually.</abstract>
    <parentTitle language="eng">Journal of Materials Chemistry A</parentTitle>
    <identifier type="issn">2050-7488</identifier>
    <identifier type="doi">10.1039/D5TA08709K</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-657076</identifier>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Joana Bustamante</author>
    <author>Anupama Ghata</author>
    <author>Aakash A. Naik</author>
    <author>Christina Ertural</author>
    <author>Katharina Ueltzen</author>
    <author>Wolfgang G. Zeier</author>
    <author>Janine George</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thermal Conductivity</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ionic Conductivity</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Machine Learning</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Materials Design</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microstructure</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bonding Analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Anharmonicity</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/65707/d5ta08709k (2).pdf</file>
  </doc>
  <doc>
    <id>65678</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>7</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>American Chemical Society (ACS)</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Influence of Liquid on Crystallite Size Evolution During Ball Milling</title>
    <abstract language="eng">Liquid assisted grinding (LAG) is a commonly used mechanochemical procedure, especially for polymorphic conversions. However, it is not understood what effect liquid additives actually play in driving mechanochemical polymorphic conversions, precluding our ability to control solid form transformations under mechanochemical conditions. We here present a time-resolved in situ (TRIS) synchrotron powder Xray diffraction (PXRD) monitoring strategy that can track, with few nm resolution, the evolution of crystalline size under liquid assisted ball milling conditions. We apply this method to investigate the influence of liquid additives on the polymorphic conversion of the 1:1 co-crystal of theophylline and benzamide, with particular focus on the role that crystallite size plays in driving ball milling induced polymorphic transformations. We find that the crystallite sizes achieved by ball milling are highly sensitive to the amount of liquid added to the reaction mixture. Liquid additives generally lead to larger crystallite sizes as compared with neat grinding protocol, with our findings indicating that crystallite size reduction is not the main factor that causes polymorph conversion under liquid assisted grinding conditions. The data presented clearly indicates the presence of an induction period before phase transformation begins with a minimum value in the crystallite size of the starting polymorph indicating the end of that induction period.</abstract>
    <parentTitle language="eng">Crystal Growth &amp; Design</parentTitle>
    <identifier type="issn">1528-7483</identifier>
    <identifier type="doi">10.1021/acs.cgd.5c01662</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-656783</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>M. Charlesworth</author>
    <author>G. Lampronti</author>
    <author>Ana M. Belenguer</author>
    <author>S. Day</author>
    <author>L. Saunders</author>
    <author>E. Connolly</author>
    <author>P. Midgley</author>
    <author>Adam A. L. Michalchuk</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ball milling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ diffraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phase transformation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Liquid assisted grinding</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallite size</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/65678/Influence of Liquid.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/65678/influence-of-liquid-on-crystallite-size-evolution-during-ball-milling.pdf</file>
  </doc>
  <doc>
    <id>65674</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>10</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Wiley-VHC GmbH</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Standardized Elemental Composition Analysis of Graphene‐Related 2D Materials (GR2M) With SEM/EDS and XPS Works Reliably</title>
    <abstract language="eng">Reliable quantification of the chemical composition of graphene‐related 2D materials (GR2M) as powders and liquid suspensions is a challenging task. Analytical methods such as X‐ray photoelectron spectroscopy (XPS), inductively coupled plasma mass spectrometry (ICP‐MS), thermogravimetric analysis (TGA) and Fourier transform infrared spectroscopy (FTIR) are recommended by standardization bodies. The specific parameters to be measured are also defined, e.g., the oxygen‐to‐carbon (O/C) atomic ratio, the trace metal impurities, or the functional groups. In this contribution, for the first time, results of a systematic study on the capability of energy‐dispersive X‐ray spectroscopy (EDS) at a scanning electron microscope (SEM) to reliably quantify the O/C ratio and impurities remained from the synthesis of selected GR2M are reported. The robustness of SEM/EDS analysis is verified for various measurement conditions (different excitations and EDS detectors) and the validity of the results is tested by comparison to the established XPS analysis. Moreover, an ionic liquid is used as a reference material for the quantification of the light elements such as C, N, O and F. The study clearly demonstrates the reliability of the fast and widely available SEM/EDS as a standard method for the quantification of the elemental composition of GR2M and generally of light materials.</abstract>
    <parentTitle language="eng">Small</parentTitle>
    <identifier type="issn">1613-6810</identifier>
    <identifier type="doi">10.1002/smll.202511283</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-656748</identifier>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Paul Mrkwitschka</author>
    <author>Mario Sahre</author>
    <author>Elena Corrao</author>
    <author>Francesco Pellegrino</author>
    <author>Beatriz Alonso</author>
    <author>Amaia Zurutuza</author>
    <author>Jörg Radnik</author>
    <author>Vasile-Dan Hodoroaba</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Graphene oxide flakes</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Impurities</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>O/C ratio</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SEM/EDS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Standard</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XPS</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <file>https://opus4.kobv.de/opus4-bam/files/65674/Small_2026_Mrkwitschka_StandardizedGR2M_With_SEM.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/65674/Small_2026_Mrkwitschka_StandardizedGR2M_With_SEM_SI.pdf</file>
  </doc>
  <doc>
    <id>65669</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>17</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>American Chemical Society (ACS)</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Impact of Microporous Layer Composition on the Water Content in the Membrane Electrode Assembly of Polymer Electrolyte Fuel Cells</title>
    <abstract language="eng">Polymer electrolyte fuel cells are paramount for future emission-free mobility. One of the vital challenges for prospering commercialization of PEFCs is water management in the cells. A microporous layer (MPL) is typically positioned between the gas Diffusion layer (GDL) and the catalyst layer (CL) to boost the cell performance and facilitate water management. In this study, three different MPLs were investigated, namely, carbon black-based MPLs with different PTFE binder contents (20 wt % PTFE as a base case and 40 wt % PTFE), as well as perforated MPLs with micron-sized pores coated on the same GDL- Substrate (Freudenberg H14). The water content in the membrane, catalyst layers (CL), and MPLs was explored using operando scanning small- and wide-angle X-ray scattering (S/WAXS). At Tcell = 80 °C, relative humidity = 100%, pabs = 3 bar, the MPL with larger pores exhibits slightly higher performance than the base case, while a considerably lower cathode CL and MPL saturation levels were observed for the MPL. In contrast, the MPL with higher amounts of PTFE binder shows lower performance than the base case, with considerably higher cathode CL and MPL saturation levels. 3D representations of how the pores could be filled in the cathode CLs were obtained from operando SAXS profiles using representative structure modeling for the different materials and operating conditions.</abstract>
    <parentTitle language="eng">ACS Applied Materials &amp; Interfaces</parentTitle>
    <identifier type="issn">1944-8244</identifier>
    <identifier type="doi">10.1021/acsami.5c22540</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-656691</identifier>
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    <licence>Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International</licence>
    <author>K. Aliyah</author>
    <author>A. Berger</author>
    <author>T. Lazaridis</author>
    <author>C. Appel</author>
    <author>C. Prehal</author>
    <author>A. Menzel</author>
    <author>M. Guizar-Sicairos</author>
    <author>Glen J. Smales</author>
    <author>Brian Richard Pauw</author>
    <author>H. A. Gasteiger</author>
    <author>L. Gubler</author>
    <author>F. N. Büchi</author>
    <author>J. Eller</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymer electrolyte fuel cell</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Catalyst layer saturation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microporous layer saturation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Membrane hydration</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Small and wide-angle scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MOUSE</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SAXS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Energy storage materials</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.5 Synthese und Streuverfahren nanostrukturierter Materialien</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/65669/impact-of-micropo.pdf</file>
  </doc>
  <doc>
    <id>65653</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>19</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Wiley-VCH GmbH</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Mechanochemical Fullerene Nanoencapsulation in Amino‐Functionalized ZIF‐12 for Visible‐Light Disinfection of Waterborne Viruses and Bacteria</title>
    <abstract language="eng">Water contamination poses a significant threat to public health and environmental sustainability, necessitating the development of efficient purification technologies. This study reports the mechanochemical synthesis of an amino-functionalized ZIF 12 framework with encapsulated fullerene (C60) as a bifunctional photocatalyst for water decontamination and disinfection under visible-light irradiation. The samples were characterized using powder X-ray diffraction (PXRD), FT-IR spectroscopy, N2 adsorption isotherm, X-ray photoelectron spectroscopy (XPS), electron microscopy (SEM and TEM), thermogravimetric Analysis (TGA), and UV–vis diffuse reflectance spectroscopy (DRS), confirming the retention of crystallinity and effective incorporation of C60 and amino groups within the framework. Fullerene loading and amino functionalization modified the optical properties, extending visible light absorption and enhancing charge separation and photocatalytic activity. The synergistic interaction between amino groups and C60 promotes efficient charge separation and enhanced hydroxyl radical production, resulting in improved photocatalytic and photo-Fenton activity. C60@ZIF-12-NH2 exhibited excellent photocatalytic performance, achieving the completeinactivation of bacteriophage P22 under saline conditions and effective disinfection of E.coli and coliforms innatural river water, demonstrating robustness under environmentally relevant conditions. The solvent-minimized mechanochemical synthesis and visible-light-driven activity position the C60@ZIF-12-NH2 composite as a promising platform for sustainable and advanced water treatment applications.</abstract>
    <parentTitle language="eng">Small</parentTitle>
    <identifier type="issn">1613-6810</identifier>
    <identifier type="doi">10.1002/smll.202512881</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-656531</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Noelia Rodríguez‐Sánchez</author>
    <author>Menta Ballesteros</author>
    <author>Carsten Prinz</author>
    <author>Inés Canosa</author>
    <author>Amando Flores Díaz</author>
    <author>Biswajit Bhattacharya</author>
    <author>A. Rabdel Ruiz‐Salvador</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fullerene</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Heterogeneous photo-Fenton</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoencapsulation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Photocatalysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>ZIF-12</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/65653/Small 2026 Rodriguez Sanchez.pdf</file>
  </doc>
  <doc>
    <id>65643</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>16</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>American Chemical Society (ACS)</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Local Vibrational Mode Analysis of Phonon Dispersion Relations in Crystals</title>
    <abstract language="eng">We present a general framework for performing local vibrational mode analysis of vibrations in crystalline materials at arbitrary wavevectors throughout the Brillouin zone. The approach enables phonon dispersion relations to be interpreted in terms of chemically meaningful interatomic interactions and structural motifs, providing direct insight into the microscopic origins of the phonon behavior in periodic systems. We demonstrate the methodology for representative one-, two-, and three-dimensional materials including polymeric chains, graphene, and prototypical rock-salt and perovskite crystals. Across these systems, the analysis reveals how specific bonding patterns and structural features govern phonon dispersion relations. This framework provides a quantitative tool for the chemically intuitive analysis of phonon spectra and offers a pathway toward the rational design of phonon-dependent properties in crystalline materials.</abstract>
    <parentTitle language="eng">Journal of Chemical Theory and Computation</parentTitle>
    <identifier type="issn">1549-9618</identifier>
    <identifier type="doi">10.1021/acs.jctc.6c00097</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-656430</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Mateusz Mojsak</author>
    <author>Filippo Bodo</author>
    <author>Alessandro Erba</author>
    <author>Adam A. L. Michalchuk</author>
    <author>Elfi Kraka</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phonons</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Molecular Crystals</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/65643/local-vibrational-mode-analysis-of-phonon-dispersion-relations-in-crystals.pdf</file>
  </doc>
  <doc>
    <id>65629</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>10</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>41</volume>
    <type>article</type>
    <publisherName>Elsevier B.V.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Bio-based microplastics increase the horizontal transfer of antibiotic resistance genes in aquatic environments</title>
    <abstract language="eng">The role of microplastics as vectors for horizontal gene transfer (HGT) of antibiotic resistance genes (ARGs) is increasingly recognized. This study investigated whether bio-based microplastics, often promoted as environmentally friendly alternatives, exhibit similar or enhanced HGT potential compared to conventional plastics. We examined the HGT rates of the trimethoprim resistance gene (dfrA1) and tetracycline resistance gene (tetA), carried on a broad-host-range plasmid, among Escherichia coli (donor) and Vibrio parahaemolyticus, Pseudomonas sp., or a natural lake microbial community (recipients). Four bio-based polymer types—polylactic acid (PLA) granules, commercial PLA, high-density polyethylene (HDPE) granules, and poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV)- were compared with two conventional microplastics, polyethylene terephthalate (PET) and bottle-derived HDPE. The bio-based microplastics exhibited significantly higher HGT frequencies, with a 21–48-fold increase compared to control chitosan in single-strain experiments and a 13-fold increase within the lake microbial community. 16S rRNA amplicon sequencing revealed distinct bacterial community compositions colonizing different microplastic types in the lake water. The transconjugant communities, indicative of successful HGT events, were strongly influenced by microplastic type. While Nannocystis was generally dominant, the PLA (granule) microplastic exhibited a unique profile dominated by Candidatus Megaira and Niveispirillum. Additionally, Flavobacterium and Fluviicola were uniquely detected as transconjugants on HDPE (granule). These findings demonstrate that bioplastics have a significant influence on the selective enrichment of specific transconjugant genera, suggesting a prominent role of microplastics, particularly bio-based plastics, in shaping ARG dissemination within complex microbial ecosystems. We recommend a comprehensive risk assessment of bio-based plastics, particularly their potential to enhance the spread of ARGs, before their widespread implementation in consumer products.</abstract>
    <parentTitle language="eng">NanoImpact</parentTitle>
    <identifier type="issn">2452-0748</identifier>
    <identifier type="doi">10.1016/j.impact.2026.100613</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-656293</identifier>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Yousuf Dar Jaffer</author>
    <author>Fazel Abdolahpur Monikh</author>
    <author>Nhung H.A. Nguyen</author>
    <author>Alena Sevcu</author>
    <author>Nafiu Abdulkadir</author>
    <author>Jakub Raha</author>
    <author>Alberto Katsumiti</author>
    <author>Ainhoa Bilbao</author>
    <author>Korinna Altman</author>
    <author>Hans-Peter Grossart</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microplastics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bioplastics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Conventional plastics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Antibiotik resistence gene</value>
    </subject>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.5 Synthese und Streuverfahren nanostrukturierter Materialien</collection>
    <collection role="themenfelder" number="">Umwelt</collection>
    <collection role="themenfelder" number="">Umwelt-Material-Interaktionen</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/65629/1-s2.0-S2452074826000030-main.pdf</file>
  </doc>
  <doc>
    <id>65627</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>11</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>731</volume>
    <type>article</type>
    <publisherName>Elsevier B.V.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">High performance novel polyelectrolyte membrane consisting of polyvinyl  alcohol-phenylsilanol-polypyrrole</title>
    <abstract language="eng">The synthesis of composite membranes based on PVA, PPy, and sulfonated–hydrolyzed TMPS was investigated  for application in proton–exchange membrane fuel cells. FT–IR confirmed the hydrolysis of TMPS through the  appearance of Si–OH vibrations, disappearance of Si–O–CH3 bands, reduced CH3 stretching intensity (2840 cm− 1), and successful sulfonation of the phenyl ring (1030 cm− 1). XPS verified the introduction of sulfonic acid groups by identifying S2p peaks between 166–170 eV. Scanning electron microscopy (SEM) showed an incorporation of PPy and that the membrane morphology altered by silanol leading to an increased surface roughness and inducing phase separation in comparison to pure PVA. The PVA–PPy–Si membrane which did not undergo phase separation demonstrated improved mechanical stability (maximum stress 5.91 MPa), reduced methanol  uptake (22%, lower than Nafion’s 30%), and enhanced thermal resistance compared to PVA–PPy and PVA–Si. It  also exhibited a high ion–exchange capacity (1.5mmol g− 1, exceeding Nafion® at 0.9mmol g− 1 ) and a proton conductivity of 0.036 S/cm, twice that of Nafion 117. These combined properties identify the PVA–PPy–Si composite as a promising high–performance polyelectrolyte membrane for fuel cell applications.</abstract>
    <parentTitle language="eng">Applied Surface Science</parentTitle>
    <identifier type="doi">10.1016/j.apsusc.2026.166495</identifier>
    <identifier type="issn">1873-5584</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">23.03.2026</enrichment>
    <author>A. M. Saeed</author>
    <author>M. A. Saied</author>
    <author>Paulina Szymoniak</author>
    <author>Korinna Altmann</author>
    <author>Andreas Schönhals</author>
    <author>Alaa Fahmy</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polyelectrolyte membrane</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="institutes" number="">6.5 Synthese und Streuverfahren nanostrukturierter Materialien</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
</export-example>
