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        <identifier>oai:materialscloud.org:1465</identifier>
        <datestamp>2022-09-12T09:54:00Z</datestamp>
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          <dc:contributor>Hamada, Ikutaro</dc:contributor>
          <dc:creator>Goto, Taiga</dc:creator>
          <dc:creator>Ito, Shin-ichi</dc:creator>
          <dc:creator>Shinde, Satish Laxman</dc:creator>
          <dc:creator>Ishibiki, Ryota</dc:creator>
          <dc:creator>Hikita, Yasuyuki</dc:creator>
          <dc:creator>Matsuda, Iwao</dc:creator>
          <dc:creator>Hamada, Ikutaro</dc:creator>
          <dc:creator>Hosono, Hideo</dc:creator>
          <dc:creator>Kondo, Takahiro</dc:creator>
          <dc:date>2022-09-12</dc:date>
          <dc:description>Hydrogen boride (HB) sheets are metal-free two-dimensional materials comprising boron and hydrogen in a 1:1 stoichiometric ratio. In spite of the several advancements, the fundamental interactions between HB sheets and discrete molecules remain unclear. Here, we report the adsorption of CO&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt; and its conversion to CH&amp;lt;sub&amp;gt;4&amp;lt;/sub&amp;gt; and C&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt;H&amp;lt;sub&amp;gt;6&amp;lt;/sub&amp;gt; using hydrogen-deficient HB sheets. Although fresh HB sheets did not adsorb CO&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt;, hydrogen-deficient HB sheets reproducibly physisorbed CO&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt; at 297 K. The adsorption followed the Langmuir model with a saturation coverage of 2.4 × 10&amp;lt;sup&amp;gt;−4&amp;lt;/sup&amp;gt; mol g&amp;lt;sup&amp;gt;−1&amp;lt;/sup&amp;gt; and a heat of adsorption of approximately 20 kJ mol&amp;lt;sup&amp;gt;−1&amp;lt;/sup&amp;gt;, which was supported by density functional theory calculations. When heated in a CO&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt; atmosphere, hydrogen-deficient HB began reacting with CO&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt; at 423 K. The detection of CH&amp;lt;sub&amp;gt;4&amp;lt;/sub&amp;gt; and C&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt;H&amp;lt;sub&amp;gt;6&amp;lt;/sub&amp;gt; as CO&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt; reaction products in a moist atmosphere indicated that hydrogen-deficient HB promotes C–C coupling and CO&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt; conversion reactions. Our findings highlight the application potential of HB sheets as catalysts for CO&amp;lt;sub&amp;gt;2&amp;lt;/sub&amp;gt; conversion.</dc:description>
          <dc:format>text/plain</dc:format>
          <dc:format>application/gzip</dc:format>
          <dc:format>text/markdown</dc:format>
          <dc:identifier>https://doi.org/10.24435/materialscloud:fw-66</dc:identifier>
          <dc:identifier>oai:materialscloud.org:1465</dc:identifier>
          <dc:identifier>mcid:2022.112</dc:identifier>
          <dc:language>eng</dc:language>
          <dc:publisher>Materials Cloud</dc:publisher>
          <dc:relation>https://archive.materialscloud.org/communities/mcarchive</dc:relation>
          <dc:relation>https://doi.org/10.24435/materialscloud:jy-e8</dc:relation>
          <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
          <dc:rights>Creative Commons Attribution 4.0 International</dc:rights>
          <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
          <dc:subject>hydrogen boride</dc:subject>
          <dc:subject>two-dimensional</dc:subject>
          <dc:subject>density functional theory</dc:subject>
          <dc:subject>carbon dioxide</dc:subject>
          <dc:subject>methane</dc:subject>
          <dc:subject>ethane</dc:subject>
          <dc:subject>CO2 conversion</dc:subject>
          <dc:title>Carbon dioxide adsorption and conversion to methane and ethane on hydrogen boride sheets</dc:title>
          <dc:type>info:eu-repo/semantics/other</dc:type>
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