The role of oxidizing conditions in the dispersion of supported platinum nanoparticles explored by ab initio modeling


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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>Salcedo, Agustin</dc:creator>
  <dc:creator>Alexandrova, Anastassia N.</dc:creator>
  <dc:creator>Loffreda, David</dc:creator>
  <dc:creator>Michel, Carine</dc:creator>
  <dc:date>2024-01-29</dc:date>
  <dc:description>Achieving fine control over the dispersion of supported platinum nanoparticles (Pt) is a promising avenue to enhance their catalytic activity and selectivity. Experimental observations suggest that exposing ceria-supported Pt nanoparticles to O₂ at 500 °C promote their dispersion into smaller particles and eventually single atoms. In the associated paper we have combined several approaches and types of models in a consistent atomistic framework to evaluate the relative stability of ceria-supported Pt as a function of the degree of oxidation of Pt and of the particle size, ranging from single atoms to nanoparticles of 1.5 nm of diameter.</dc:description>
  <dc:identifier>https://archive.materialscloud.org/record/2024.17</dc:identifier>
  <dc:identifier>doi:10.24435/materialscloud:sw-3c</dc:identifier>
  <dc:identifier>mcid:2024.17</dc:identifier>
  <dc:identifier>oai:materialscloud.org:2063</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>Platinum</dc:subject>
  <dc:subject>Cerium oxide</dc:subject>
  <dc:subject>DFT+U</dc:subject>
  <dc:title>The role of oxidizing conditions in the dispersion of supported platinum nanoparticles explored by ab initio modeling</dc:title>
  <dc:type>Dataset</dc:type>
</oai_dc:dc>