Atomic structures of 100nm x 100nm large oxide-, nitride-, sulfide-, and phosphide-derived copper surfaces

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<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Gauthier, Joseph</dc:creator>
  <dc:creator>Halldin Stenlid, Joakim</dc:creator>
  <dc:creator>Abild-Pedersen, Frank</dc:creator>
  <dc:creator>Head-Gordon, Martin</dc:creator>
  <dc:creator>Bell, Alexis T.</dc:creator>
  <dc:date>2021-08-12</dc:date>
  <dc:description>Cif files of relaxed "derived" copper surfaces from Cu2O, Cu2S, Cu3N, and Cu3P using EMT and published in J Gauthier, JH Stenlid, F Abild-Pedersen, M Head-Gordon, AT Bell, ACS Energy Letters, "The role of roughening to enhance selectivity to C2+ products during CO2 electroreduction on copper" (2021). These structures were used to evaluate the effect of roughening on catalytic selectivity of copper in electrochemcial CO2 reduction into valuable products such as fuels and commodity chemicals.</dc:description>
  <dc:identifier>https://archive.materialscloud.org/record/2021.134</dc:identifier>
  <dc:identifier>doi:10.24435/materialscloud:3s-7w</dc:identifier>
  <dc:identifier>mcid:2021.134</dc:identifier>
  <dc:identifier>oai:materialscloud.org:983</dc:identifier>
  <dc:language>en</dc:language>
  <dc:publisher>Materials Cloud</dc:publisher>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:subject>Surface structure</dc:subject>
  <dc:subject>Copper</dc:subject>
  <dc:subject>Atomic coordinates</dc:subject>
  <dc:title>Atomic structures of 100nm x 100nm large oxide-, nitride-, sulfide-, and phosphide-derived copper surfaces</dc:title>
  <dc:type>Dataset</dc:type>
</oai_dc:dc>