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  <doc>
    <id>64427</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>11</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Wiley VHC-Verlag</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Designing Co–N/C Cathode Catalysts with Dense Atomic Cobalt Sites for Enhanced PEMFC Performance</title>
    <abstract language="eng">Metal-nitrogen/carbon (M-N/C) catalysts, particularly those incorporating Fe,Co, or Mn, are among the most promising non-platinum group catalysts forthe acidic oxygen reduction reaction (ORR) in fuel cells. This study reports aCo-N/C catalyst featuring high (3 wt%) cobalt content exclusively present asatomic sites. Extended X-ray absorption ﬁne structure analysis conﬁrms atetrapyridinic Co-N4 coordination environment in the optimized (3.0)Co-N/C𝚫catalyst. The high cobalt loading leads to a signiﬁcant density ofelectrochemically accessible active sites, 3.58 × 10 19 sites g−1 , quantiﬁed viathe nitrite stripping method. The catalyst demonstrates excellent ORR activityin a rotating ring-disk electrode setup, achieving a half-wave potential (E 1/2 ) of0.76 V at a low loading of 0.2 mg cm−2 and a mass activity of 3.5 A g−1 at 0.80VRHE . Single-cell hydrogen-oxygen PEMFC tests achieve a peak power densityexceeding 1.3 W cm−2 (iR-corrected). Under hydrogen-air condition, thecatalyst delivers 0.54 A cm−2 at 0.60 V (0.39 W cm−2 ). Despite the intrinsicallyhigher turnover frequency of Fe-based sites, the optimized(3.0)Co-N/C𝚫 catalyst achieves similar fuel cell performance to that of Fe-N/C,highlighting the critical role of site density in overall activity.</abstract>
    <parentTitle language="eng">Advanced Science</parentTitle>
    <identifier type="doi">10.1002/advs.202516060</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-644276</identifier>
    <identifier type="issn">2198-3844</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">27.10.2025</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Mengjun Gong</author>
    <author>Asad Mehmood</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Tim-Patrick Fellinger</author>
    <author>Colleen Jackson</author>
    <author>Junyi Cui</author>
    <author>Goran Drazic</author>
    <author>Anthony Kucernak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fuel cells</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Single atom catalysts</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Oxygen reduction reaction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Non-precious catalysts</value>
    </subject>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">3 Gefahrgutumschließungen; Energiespeicher</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="institutes" number="">3.6 Elektrochemische Energiematerialien</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/64427/Gong et al- Designing Co N C Cathode Catalysts with Dense Atomic Cobalt Sites for Enhanced PEMFC.pdf</file>
  </doc>
  <doc>
    <id>60623</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>8</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>2024</volume>
    <type>article</type>
    <publisherName>Wiley-VCH</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The Tetrapyrollic Motif in Nitrogen Doped Carbons and M-N-C Electrocatalysts as Active Site in the Outer-Sphere Mechanism of the Alkaline Oxygen Reduction Reaction</title>
    <abstract language="eng">Development and fundamental understanding of precious-group-metal-free electrocatalysts is hampered by limitations in the quantification of the intrinsic activity of different catalytic sites and understanding the different reaction mechanisms. Comparing isomorphic nitrogen-doped carbons, Zn-N-Cs and Fe-N-Cs with the common tetrapyrrolic motif, a catalyst-independent outer-sphere rate-determining step in the alkaline oxygen reduction reaction is observed. Density functional theory (DFT) simulations on tetrapyrrolic model structures indicate the highest occupied molecular orbital (HOMO) level as a good descriptor for the catalytic activity. Contour plots suggest that the electron transfer occurs directly from the tetrapyrrolic coordination site, rather than from the metal center. Metal-free tetrapyrrolic N4 sites are discovered to be highly active oxygen reduction reaction (ORR) active sites in alkaline that reach turnover frequencies (TOF) of 0.33 and 1.84 s−1 at 0.80 and 0.75 VRHE in the order of magnitude of tetrapyrrolic Fe–N4 sites in the acidic ORR. While Zn-coordination lowers the HOMO level and therefore the catalytic activity, Fe-coordination lifts the HOMO level resulting in TOF values of 0.4 and 4 s−1 for tetrapyrrolic Fe–N4 sites at 0.90 and 0.85 VRHE, respectively. At higher mass activities, the peroxide reduction becomes rate-limiting, where highest peroxide production rates are observed for the nitrogen-doped carbon.</abstract>
    <parentTitle language="eng">Advanced Energy Materials</parentTitle>
    <identifier type="doi">https://doi.org/10.1002/aenm.202400482</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-606239</identifier>
    <identifier type="issn">1614-6832</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">29.07.2024</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>D. Menga</author>
    <author>Jian Liang Low</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>B. Paulus</author>
    <author>Tim-Patrick Fellinger</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Tetrapyrollic</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Motif</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nitrogen</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Carbons</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Alkaline Oxygen</value>
    </subject>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">3 Gefahrgutumschließungen; Energiespeicher</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Wasserstoff</collection>
    <collection role="institutes" number="">3.6 Elektrochemische Energiematerialien</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/60623/Advanced Energy Materials - 2024.pdf</file>
  </doc>
  <doc>
    <id>56740</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>6</pageLast>
    <pageNumber/>
    <edition/>
    <issue>50</issue>
    <volume>61</volume>
    <type>article</type>
    <publisherName>Wiley-VHC</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Evaluation of the Specific Activity of MNCs and the Intrinsic Activity of Tetrapyrrolic FeN4 Sites for the Oxygen Reduction Reaction</title>
    <abstract language="eng">M−N−C electrocatalysts are considered pivotal to replace expensive precious group metal-based materials in electrocatalytic conversions. However, their development is hampered by the limited availability of methods for the evaluation of the intrinsic activity of different active sites, like pyrrolic FeN4 sites within Fe−N−Cs. Currently, new synthetic procedures based on active-site imprinting followed by an ion exchange reaction, e.g. Zn-to-Fe, are producing single-site M−N−Cs with outstanding activity. Based on the same replacement principle, we employed a conservative iron extraction to partially remove the Fe ions from the N4 cavities in Fe−N−Cs. Having catalysts with the same morphological properties and Fe ligation that differ solely in Fe content allows for the facile determination of the decrease in density of active sites and their turn-over frequency. In this way, insight into the specific activity of M−N−Cs is obtained and for single-site catalysts the intrinsic activity of the site is accessible. This new approach surpasses limitations of methods that rely on probe molecules and, together with those techniques, offers a novel tool to unfold the complexity of Fe−N−C catalyst and M−N−Cs in general.</abstract>
    <parentTitle language="eng">Angewandte Chemie International Edition</parentTitle>
    <identifier type="doi">10.1002/anie.202207089</identifier>
    <identifier type="issn">1433-7851</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-567406</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">02.01.2023</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>D. Menga</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>F. Wagner</author>
    <author>Tim-Patrick Fellinger</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fe-N-C catalysts</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>M-N-C catalysts</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fuel Cells</value>
    </subject>
    <collection role="ddc" number="621">Angewandte Physik</collection>
    <collection role="institutes" number="">3 Gefahrgutumschließungen; Energiespeicher</collection>
    <collection role="themenfelder" number="">Energie</collection>
    <collection role="themenfelder" number="">Elektrische Energiespeicher und -umwandlung</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="institutes" number="">3.0 Abteilungsleitung und andere</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/56740/Menga_2022_Angewandte_Int_Ed.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/56740/Menga_2022_SI_Angewandte_Int_Ed.pdf</file>
  </doc>
  <doc>
    <id>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>
</export-example>
