<?xml version="1.0" encoding="utf-8"?>
<TEI xmlns="http://www.tei-c.org/ns/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:hal="http://hal.archives-ouvertes.fr/" xmlns:gml="http://www.opengis.net/gml/3.3/" xmlns:gmlce="http://www.opengis.net/gml/3.3/ce" version="1.1" xsi:schemaLocation="http://www.tei-c.org/ns/1.0 http://api.archives-ouvertes.fr/documents/aofr-sword.xsd">
  <teiHeader>
    <fileDesc>
      <titleStmt>
        <title>HAL TEI export of hal-01116785</title>
      </titleStmt>
      <publicationStmt>
        <distributor>CCSD</distributor>
        <availability status="restricted">
          <licence target="https://creativecommons.org/publicdomain/zero/1.0/">CC0 1.0 - Universal</licence>
        </availability>
        <date when="2026-05-03T08:04:18+02:00"/>
      </publicationStmt>
      <sourceDesc>
        <p part="N">HAL API Platform</p>
      </sourceDesc>
    </fileDesc>
  </teiHeader>
  <text>
    <body>
      <listBibl>
        <biblFull>
          <titleStmt>
            <title xml:lang="en">Growth of a Pt film on non-reduced ceria: A density functional theory study</title>
            <author role="aut">
              <persName>
                <forename type="first">David</forename>
                <surname>Loffreda</surname>
              </persName>
              <email type="md5">4847557b9b19d12d7c9168538ac22dd6</email>
              <email type="domain">ens-lyon.fr</email>
              <idno type="idhal" notation="string">david-loffreda</idno>
              <idno type="idhal" notation="numeric">181390</idno>
              <idno type="halauthorid" notation="string">867370-181390</idno>
              <idno type="ORCID">https://orcid.org/0000-0001-9912-7965</idno>
              <idno type="IDREF">https://www.idref.fr/158059840</idno>
              <affiliation ref="#struct-663"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Françoise</forename>
                <surname>Delbecq</surname>
              </persName>
              <idno type="halauthorid">177352-0</idno>
              <affiliation ref="#struct-663"/>
            </author>
            <editor role="depositor">
              <persName>
                <forename>PourLC</forename>
                <surname>Déposant</surname>
              </persName>
              <email type="md5">12c7e6ed6bcf0848a37efa408cf91db1</email>
              <email type="domain">ens-lyon.fr</email>
            </editor>
          </titleStmt>
          <editionStmt>
            <edition n="v1" type="current">
              <date type="whenSubmitted">2015-02-14 22:21:36</date>
              <date type="whenModified">2025-10-13 09:44:14</date>
              <date type="whenReleased">2015-02-14 22:21:36</date>
              <date type="whenProduced">2012</date>
            </edition>
            <respStmt>
              <resp>contributor</resp>
              <name key="328223">
                <persName>
                  <forename>PourLC</forename>
                  <surname>Déposant</surname>
                </persName>
                <email type="md5">12c7e6ed6bcf0848a37efa408cf91db1</email>
                <email type="domain">ens-lyon.fr</email>
              </name>
            </respStmt>
          </editionStmt>
          <publicationStmt>
            <distributor>CCSD</distributor>
            <idno type="halId">hal-01116785</idno>
            <idno type="halUri">https://hal.science/hal-01116785</idno>
            <idno type="halBibtex">loffreda:hal-01116785</idno>
            <idno type="halRefHtml">&lt;i&gt;Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics&lt;/i&gt;, 2012, 136 (4), pp.044705-1,10. &lt;a target="_blank" href="https://dx.doi.org/10.1063/1.3678864"&gt;&amp;#x27E8;10.1063/1.3678864&amp;#x27E9;&lt;/a&gt;</idno>
            <idno type="halRef">Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 2012, 136 (4), pp.044705-1,10. &amp;#x27E8;10.1063/1.3678864&amp;#x27E9;</idno>
            <availability status="restricted"/>
          </publicationStmt>
          <seriesStmt>
            <idno type="stamp" n="ENS-LYON">École Normale Supérieure de Lyon</idno>
            <idno type="stamp" n="CNRS">CNRS - Centre national de la recherche scientifique</idno>
            <idno type="stamp" n="UNIV-LYON1">Université Claude Bernard - Lyon I</idno>
            <idno type="stamp" n="HAL-CHIMIE-ENSLYON" corresp="ENS-LYON">HAL_CHIMIE_ENSLYON</idno>
            <idno type="stamp" n="INC-CNRS">Institut de Chimie du CNRS</idno>
            <idno type="stamp" n="UDL">UDL</idno>
            <idno type="stamp" n="UNIV-LYON">Université de Lyon</idno>
            <idno type="stamp" n="TEST2-HALCNRS">TEST2-HALCNRS</idno>
          </seriesStmt>
          <notesStmt>
            <note type="audience" n="2">International</note>
            <note type="popular" n="0">No</note>
            <note type="peer" n="1">Yes</note>
          </notesStmt>
          <sourceDesc>
            <biblStruct>
              <analytic>
                <title xml:lang="en">Growth of a Pt film on non-reduced ceria: A density functional theory study</title>
                <author role="aut">
                  <persName>
                    <forename type="first">David</forename>
                    <surname>Loffreda</surname>
                  </persName>
                  <email type="md5">4847557b9b19d12d7c9168538ac22dd6</email>
                  <email type="domain">ens-lyon.fr</email>
                  <idno type="idhal" notation="string">david-loffreda</idno>
                  <idno type="idhal" notation="numeric">181390</idno>
                  <idno type="halauthorid" notation="string">867370-181390</idno>
                  <idno type="ORCID">https://orcid.org/0000-0001-9912-7965</idno>
                  <idno type="IDREF">https://www.idref.fr/158059840</idno>
                  <affiliation ref="#struct-663"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Françoise</forename>
                    <surname>Delbecq</surname>
                  </persName>
                  <idno type="halauthorid">177352-0</idno>
                  <affiliation ref="#struct-663"/>
                </author>
              </analytic>
              <monogr>
                <idno type="halJournalId" status="VALID">13538</idno>
                <idno type="issn">0300-9238</idno>
                <title level="j">Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics</title>
                <imprint>
                  <publisher>Royal Society of Chemistry</publisher>
                  <biblScope unit="volume">136</biblScope>
                  <biblScope unit="issue">4</biblScope>
                  <biblScope unit="pp">044705-1,10</biblScope>
                  <date type="datePub">2012</date>
                </imprint>
              </monogr>
              <idno type="doi">10.1063/1.3678864</idno>
              <ref type="publisher">http://scitation.aip.org/content/aip/journal/jcp/136/4/10.1063/1.3678864</ref>
            </biblStruct>
          </sourceDesc>
          <profileDesc>
            <langUsage>
              <language ident="en">English</language>
            </langUsage>
            <textClass>
              <classCode scheme="halDomain" n="chim.theo">Chemical Sciences/Theoretical and/or physical chemistry</classCode>
              <classCode scheme="halTypology" n="ART">Journal articles</classCode>
              <classCode scheme="halOldTypology" n="ART">Journal articles</classCode>
              <classCode scheme="halTreeTypology" n="ART">Journal articles</classCode>
            </textClass>
            <abstract xml:lang="en">
              <p>The growth of platinum on non-reduced CeO2 (111) surface is studied by means of calculations based on the density functional theory. Particles of increasing size are formed on the oxide surface by incorporating the platinum atoms one by one until multilayer films are obtained. The main conclusion is that platinum atoms tend to maximize the number of metallic bonds and to approach the situation of the bulk, hence preferring films to particles, particles to isolated atoms, and a three-dimensional growth to a two-dimensional one. The supported particles and the films exhibit a contraction of the Pt–Pt distances, with respect to those of the Pt bulk, in order to match the ceria lattice. The density of states projected on the filmsurfaceplatinum atoms shows important differences in shape and energy (lower d-band center) compared to the Pt(111) reference surface, which could be the major reason for the observed changes in catalytic reactivity when deposited particles are compared with single crystal surfaces.</p>
            </abstract>
          </profileDesc>
        </biblFull>
      </listBibl>
    </body>
    <back>
      <listOrg type="structures">
        <org type="laboratory" xml:id="struct-663" status="VALID">
          <idno type="IdRef">164825762</idno>
          <idno type="ISNI">0000 0004 0383 1432</idno>
          <idno type="RNSR">200311854B</idno>
          <idno type="ROR">https://ror.org/02gaw1s20</idno>
          <idno type="Wikidata">Q30262261</idno>
          <orgName>Laboratoire de Chimie - UMR5182</orgName>
          <orgName type="acronym">LC</orgName>
          <date type="start">2003-01-01</date>
          <desc>
            <address>
              <addrLine>Ens de Lyon, Site Jacques Monod - 46 allée d'Italie - 69364 Lyon cedex 07</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.ens-lyon.fr/CHIMIE</ref>
          </desc>
          <listRelation>
            <relation active="#struct-6818" type="direct"/>
            <relation active="#struct-301088" type="indirect"/>
            <relation active="#struct-194495" type="direct"/>
            <relation active="#struct-341038" type="direct"/>
            <relation name="UMR5182" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-6818" status="VALID">
          <idno type="IdRef">149154992</idno>
          <idno type="ISNI">0000000123319856</idno>
          <idno type="ROR">https://ror.org/04zmssz18</idno>
          <idno type="Wikidata">Q10159</idno>
          <orgName>École normale supérieure de Lyon</orgName>
          <orgName type="acronym">ENS de Lyon</orgName>
          <date type="start">2010-01-01</date>
          <desc>
            <address>
              <addrLine>15 parvis René Descartes - BP 7000 - 69342 Lyon Cedex 07</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.ens-lyon.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-301088" type="direct"/>
          </listRelation>
        </org>
        <org type="regroupinstitution" xml:id="struct-301088" status="VALID">
          <idno type="ROR">https://ror.org/01rk35k63</idno>
          <orgName>Université de Lyon</orgName>
          <desc>
            <address>
              <addrLine>92 rue Pasteur - CS 30122, 69361 Lyon Cedex 07</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.universite-lyon.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-194495" status="VALID">
          <idno type="IdRef">026402823</idno>
          <idno type="ISNI">0000000121686185</idno>
          <idno type="ROR">https://ror.org/029brtt94</idno>
          <orgName>Université Claude Bernard Lyon 1</orgName>
          <orgName type="acronym">UCBL</orgName>
          <desc>
            <address>
              <addrLine>43, boulevard du 11 novembre 1918, 69622 Villeurbanne cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.univ-lyon1.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-301088" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-341038" status="VALID">
          <idno type="IdRef">232435103</idno>
          <idno type="ISNI">000000010626358X</idno>
          <idno type="ROR">https://ror.org/02cte4b68</idno>
          <orgName>Institut de Chimie - CNRS Chimie</orgName>
          <orgName type="acronym">INC-CNRS</orgName>
          <date type="start">2009-10-01</date>
          <desc>
            <address>
              <addrLine>CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE3 rue Michel-Ange75794 PARIS CEDEX 16 - France</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.cnrs.fr/inc</ref>
          </desc>
        </org>
        <org type="regroupinstitution" xml:id="struct-441569" status="VALID">
          <idno type="IdRef">02636817X</idno>
          <idno type="ISNI">0000000122597504</idno>
          <idno type="ROR">https://ror.org/02feahw73</idno>
          <orgName>Centre National de la Recherche Scientifique</orgName>
          <orgName type="acronym">CNRS</orgName>
          <date type="start">1939-10-19</date>
          <desc>
            <address>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.cnrs.fr/</ref>
          </desc>
        </org>
      </listOrg>
    </back>
  </text>
</TEI>