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

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{
  "revision": 7, 
  "id": "2063", 
  "created": "2024-01-26T14:06:29.786035+00:00", 
  "metadata": {
    "doi": "10.24435/materialscloud:sw-3c", 
    "status": "published", 
    "title": "The role of oxidizing conditions in the dispersion of supported platinum nanoparticles explored by ab initio modeling", 
    "mcid": "2024.17", 
    "license_addendum": null, 
    "_files": [
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        "description": "CONTCAR and INCAR files for structures in Figure S1 of the associated paper", 
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        "description": "CONTCAR and INCAR files for structures in Figure S3 of the associated paper", 
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        "description": "CONTCAR and INCAR files for structures in Figure S4 of the associated paper", 
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    ], 
    "owner": 410, 
    "_oai": {
      "id": "oai:materialscloud.org:2063"
    }, 
    "keywords": [
      "Platinum", 
      "Cerium oxide", 
      "DFT+U"
    ], 
    "conceptrecid": "2062", 
    "is_last": true, 
    "references": [
      {
        "type": "Journal reference", 
        "comment": "Paper in which the data is discussed", 
        "citation": "A. Salcedo, A. N. Alexandrova, D. Loffreda, C. Michel, J. Phys. Chem. C (accepted article)"
      }
    ], 
    "publication_date": "Jan 29, 2024, 21:57:20", 
    "license": "Creative Commons Attribution 4.0 International", 
    "id": "2063", 
    "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 O\u2082 at 500 \u00b0C 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.", 
    "version": 1, 
    "contributors": [
      {
        "email": "agustin.salcedo@ens-lyon.fr", 
        "affiliations": [
          "ENS de Lyon, CNRS UMR 5182, Laboratoire de Chimie UMR CNRS 5182, 46 All\u00e9e d'Italie, 69364 Lyon, France"
        ], 
        "familyname": "Salcedo", 
        "givennames": "Agustin"
      }, 
      {
        "affiliations": [
          "Department of Chemistry and Biochemistry, University of California, Los Angeles, Los Angeles, CA 90095, USA", 
          "California NanoSystems Institute, Los Angeles, CA, 90095, USA"
        ], 
        "familyname": "Alexandrova", 
        "givennames": "Anastassia N."
      }, 
      {
        "email": "david.loffreda@ens-lyon.fr", 
        "affiliations": [
          "ENS de Lyon, CNRS UMR 5182, Laboratoire de Chimie UMR CNRS 5182, 46 All\u00e9e d'Italie, 69364 Lyon, France"
        ], 
        "familyname": "Loffreda", 
        "givennames": "David"
      }, 
      {
        "email": "carine.michel@ens-lyon.fr", 
        "affiliations": [
          "ENS de Lyon, CNRS UMR 5182, Laboratoire de Chimie UMR CNRS 5182, 46 All\u00e9e d'Italie, 69364 Lyon, France"
        ], 
        "familyname": "Michel", 
        "givennames": "Carine"
      }
    ], 
    "edited_by": 576
  }, 
  "updated": "2024-01-29T20:57:20.066046+00:00"
}