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  <doc>
    <id>58889</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>16</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Chemical Kinetic Method for Active-Site Quantification in Fe-N‑C Catalysts and Correlation with Molecular Probe and Spectroscopic Site-Counting Methods</title>
    <abstract language="eng">Mononuclear Fe ions ligated by nitrogen (FeNx) dispersed on nitrogen-doped carbon (Fe-N-C) serve as active centers for electrocatalytic O2 reduction and thermocatalytic aerobic oxidations. Despite their promise as replacements for precious metals in a variety of practical applications, such as fuel cells, the discovery of new Fe-N-C catalysts has relied primarily on empirical approaches. In this context, the development of quantitative structure−reactivity relationships and benchmarking of catalysts prepared by different synthetic routes and by different laboratories would be facilitated by the broader adoption of methods to quantify atomically dispersed FeNx active centers. In this study, we develop a kinetic probe reaction method that uses the aerobic oxidation of a model hydroquinone substrate to quantify&#13;
the density of FeNx centers in Fe-N-C catalysts. The kinetic method is compared with low-temperature Mössbauer spectroscopy, CO pulse chemisorption, and electrochemical reductive stripping of NO derived from NO2 − on a suite of Fe-N-C catalysts prepared by diverse routes and featuring either the exclusive presence of Fe as FeNx sites or the coexistence of aggregated Fe species in addition to FeNx. The FeNx site densities derived from the kinetic method correlate well with those obtained from CO pulse chemisorption and Mössbauer spectroscopy. The broad survey of Fe-N-C materials also reveals the presence of outliers and challenges associated with each site quantification approach. The kinetic method developed here does not require pretreatments that may alter active-site distributions or specialized equipment beyond reaction vessels and standard analytical instrumentation.</abstract>
    <parentTitle language="eng">Jurnal of the american chemical society</parentTitle>
    <identifier type="doi">10.1021/jacs.3c08790</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">27.11.2023</enrichment>
    <enrichment key="PaperofMonth">1</enrichment>
    <author>J. S. Bates</author>
    <author>J. J. Martinez</author>
    <author>M. N. Hall</author>
    <author>A. A. Al-Omari</author>
    <author>E. Murphy</author>
    <author>Y. Zeng</author>
    <author>F. Luo</author>
    <author>M. Primbs</author>
    <author>D. Menga</author>
    <author>N. Bibent</author>
    <author>M. T. Sougrati</author>
    <author>F. E. Wagner</author>
    <author>P. Atanassov</author>
    <author>G. Wu</author>
    <author>P. Strasser</author>
    <author>Tim-Patrick Fellinger</author>
    <author>F. Jaouen</author>
    <author>T. W. Root</author>
    <author>S. S. Stahl</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Active-Site Quantification</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 im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="institutes" number="">3.6 Elektrochemische Energiematerialien</collection>
  </doc>
  <doc>
    <id>51388</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>6</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>conferenceobject</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Quasistatic rollover threshold of atmospheric road tankers</title>
    <abstract language="eng">Several geometrical analytical tools can be used for assessing the potential benefits of any alternative tank shape. The quasistatic evaluation of the cargo-vehicle behavior represents a fast way to objectively determine the roll stability benefits of any potentially new tank shape. In this paper, the geometrical, quasistatic rollover performance of a convex bottom tank shape is compared with that of standard tank shapes, finding that in spite of the lower position of the cargo´s center of gravity in such a tank shape for the un-perturbed condition, it has the same performance as the elliptical tank shape when subjected to Steady lateral acceleration. That as a result of the large cargo´s lateral displacement. Consequently, the combination of a lower center of gravity for the cargo when it is not perturbed, and a Minimum lateral shift due to lateral accelerations inputs, define the conditions for an ideal tank shape.</abstract>
    <parentTitle language="eng">CONiiN XVI International Engineering Congress</parentTitle>
    <enrichment key="eventName">CONIIN 2020</enrichment>
    <enrichment key="eventPlace">Online meeting</enrichment>
    <enrichment key="eventStart">28.09.2020</enrichment>
    <enrichment key="eventEnd">02.10.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>José A. Romero-Navarrete</author>
    <author>Frank Otremba</author>
    <author>Christian Sklorz</author>
    <author>M. Martínez Madrid</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Tank shape</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Road tankers</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Center of gravity shifting</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Quasistatic</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Convex bottom</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Geometrical analysis</value>
    </subject>
    <collection role="ddc" number="624">Ingenieurbau</collection>
    <collection role="institutes" number="">3 Gefahrgutumschließungen; Energiespeicher</collection>
    <collection role="institutes" number="">3.2 Sicherheit von Energiespeichern</collection>
    <collection role="themenfelder" number="">Infrastruktur</collection>
    <collection role="themenfelder" number="">Fire Science</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Graue Literatur</collection>
  </doc>
</export-example>
