<?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-03521317</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="2026-05-16T20:30:30+02:00"/>
      </publicationStmt>
      <sourceDesc>
        <p part="N">HAL API Platform</p>
      </sourceDesc>
    </fileDesc>
  </teiHeader>
  <text>
    <body>
      <listBibl>
        <biblFull>
          <titleStmt>
            <title xml:lang="en">Trends of chemical ordering in Pt-based nanoalloys</title>
            <author role="aut">
              <persName>
                <forename type="first">Alexis</forename>
                <surname>Front</surname>
              </persName>
              <idno type="halauthorid">2166873-0</idno>
              <affiliation ref="#struct-1084273"/>
              <affiliation ref="#struct-215109"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Christine</forename>
                <surname>Mottet</surname>
              </persName>
              <email type="md5">f8cea5821e2385e3318532f794fdd81b</email>
              <email type="domain">cinam.univ-mrs.fr</email>
              <idno type="idhal" notation="string">christine-mottet</idno>
              <idno type="idhal" notation="numeric">169707</idno>
              <idno type="halauthorid" notation="string">9524-169707</idno>
              <idno type="ORCID">https://orcid.org/0000-0002-7084-911X</idno>
              <idno type="IDREF">https://www.idref.fr/184027926</idno>
              <affiliation ref="#struct-215109"/>
            </author>
            <editor role="depositor">
              <persName>
                <forename>Christine</forename>
                <surname>Mottet</surname>
              </persName>
              <email type="md5">f5b0e08e385bfd42e7bd5200c90bf1af</email>
              <email type="domain">univ-amu.fr</email>
            </editor>
          </titleStmt>
          <editionStmt>
            <edition n="v1" type="current">
              <date type="whenSubmitted">2022-02-07 16:34:29</date>
              <date type="whenModified">2024-07-24 14:52:08</date>
              <date type="whenReleased">2022-02-07 16:37:44</date>
              <date type="whenProduced">2022</date>
              <date type="whenEndEmbargoed">2022-06-27</date>
              <ref type="file" target="https://hal.science/hal-03521317v1/document">
                <date notBefore="2022-06-27"/>
              </ref>
              <ref type="file" subtype="author" n="1" target="https://hal.science/hal-03521317v1/file/nanoalloys.pdf" id="file-3560034-3116671">
                <date notBefore="2022-06-27"/>
              </ref>
            </edition>
            <respStmt>
              <resp>contributor</resp>
              <name key="70824">
                <persName>
                  <forename>Christine</forename>
                  <surname>Mottet</surname>
                </persName>
                <email type="md5">f5b0e08e385bfd42e7bd5200c90bf1af</email>
                <email type="domain">univ-amu.fr</email>
              </name>
            </respStmt>
          </editionStmt>
          <publicationStmt>
            <distributor>CCSD</distributor>
            <idno type="halId">hal-03521317</idno>
            <idno type="halUri">https://hal.science/hal-03521317</idno>
            <idno type="halBibtex">front:hal-03521317</idno>
            <idno type="halRefHtml">&lt;i&gt;Theoretical Chemistry Accounts: Theory, Computation, and Modeling&lt;/i&gt;, 2022, 141 (1), pp.2. &lt;a target="_blank" href="https://dx.doi.org/10.1007/s00214-021-02861-7"&gt;&amp;#x27E8;10.1007/s00214-021-02861-7&amp;#x27E9;&lt;/a&gt;</idno>
            <idno type="halRef">Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2022, 141 (1), pp.2. &amp;#x27E8;10.1007/s00214-021-02861-7&amp;#x27E9;</idno>
            <availability status="restricted">
              <licence target="https://about.hal.science/hal-authorisation-v1/">HAL Authorization<ref corresp="#file-3560034-3116671"/></licence>
            </availability>
          </publicationStmt>
          <seriesStmt>
            <idno type="stamp" n="CNRS">CNRS - Centre national de la recherche scientifique</idno>
            <idno type="stamp" n="UNIV-AMU">Aix Marseille Université</idno>
            <idno type="stamp" n="GENCI">Publications ayant eu recours aux supercalculateurs du GENCI</idno>
            <idno type="stamp" n="UNIV-PARIS-SACLAY">Université Paris-Saclay</idno>
            <idno type="stamp" n="CINAM">Centre Interdisciplinaire de Nanoscience de Marseille</idno>
            <idno type="stamp" n="UNIVERSITE-PARIS-SACLAY" corresp="UNIV-PARIS-SACLAY">Université Paris-Saclay</idno>
            <idno type="stamp" n="LEM_UMR104">Laboratoire d'Etude des Microstructures</idno>
            <idno type="stamp" n="GS-PHYSIQUE">Graduate School Physique</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">Trends of chemical ordering in Pt-based nanoalloys</title>
                <author role="aut">
                  <persName>
                    <forename type="first">Alexis</forename>
                    <surname>Front</surname>
                  </persName>
                  <idno type="halauthorid">2166873-0</idno>
                  <affiliation ref="#struct-1084273"/>
                  <affiliation ref="#struct-215109"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Christine</forename>
                    <surname>Mottet</surname>
                  </persName>
                  <email type="md5">f8cea5821e2385e3318532f794fdd81b</email>
                  <email type="domain">cinam.univ-mrs.fr</email>
                  <idno type="idhal" notation="string">christine-mottet</idno>
                  <idno type="idhal" notation="numeric">169707</idno>
                  <idno type="halauthorid" notation="string">9524-169707</idno>
                  <idno type="ORCID">https://orcid.org/0000-0002-7084-911X</idno>
                  <idno type="IDREF">https://www.idref.fr/184027926</idno>
                  <affiliation ref="#struct-215109"/>
                </author>
              </analytic>
              <monogr>
                <idno type="halJournalId" status="VALID">19593</idno>
                <idno type="issn">1432-881X</idno>
                <idno type="eissn">1432-2234</idno>
                <title level="j">Theoretical Chemistry Accounts: Theory, Computation, and Modeling</title>
                <imprint>
                  <publisher>Springer Verlag</publisher>
                  <biblScope unit="volume">141</biblScope>
                  <biblScope unit="issue">1</biblScope>
                  <biblScope unit="pp">2</biblScope>
                  <date type="datePub">2022</date>
                  <date type="dateEpub">2021-12-27</date>
                </imprint>
              </monogr>
              <idno type="doi">10.1007/s00214-021-02861-7</idno>
            </biblStruct>
          </sourceDesc>
          <profileDesc>
            <langUsage>
              <language ident="en">English</language>
            </langUsage>
            <textClass>
              <keywords scheme="author">
                <term xml:lang="en">Many-body potentials</term>
                <term xml:lang="en">Nanoparticles of alloys</term>
                <term xml:lang="en">Monte-Carlo simulations</term>
              </keywords>
              <classCode scheme="halDomain" n="chim.mate">Chemical Sciences/Material chemistry</classCode>
              <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>Nanoparticles of alloys represent a very interesting subject for fundamental research and, at the same time, a lot of useful applications in industrial catalysis, microelectronics, sensors and medicine. Their properties depend on the atomic and chemical structure which has been the subject of intensive researches. This paper presents some trends in theoretical predictions of the chemical ordering and surface segregation in Pt-based nanosized systems, especially transition and noble metals for which catalytic, magnetic and optical properties are well known. By associating two different metals, it is possible to improve selectivity in catalysis, or to increase magnetic anisotropy in magnetic systems, or to tune the surface plasmonic resonance in optical absorption, but the question is how the two species will mix or demix and how they will be distributed on the surface and in the core of the nanoparticle. This paper will give some general overviews concerning Pt–X, X=Co, Pd or Ag systems obtained from atomistic simulations. It will make a link between the chemical configuration adopted by the nanoalloys and the chemical characteristics of the system in terms of ordering tendency in bulk alloys and surface segregation in surface alloys.</p>
            </abstract>
          </profileDesc>
        </biblFull>
      </listBibl>
    </body>
    <back>
      <listOrg type="structures">
        <org type="laboratory" xml:id="struct-1084273" status="VALID">
          <orgName>Université Paris Saclay, ONERA, CNRS, Laboratoire d'étude des microstructures (LEM)</orgName>
          <date type="start">2021-01-01</date>
          <desc>
            <address>
              <addrLine>92322 Châtillon</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://lem.onera.cnrs.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-300024" type="direct"/>
            <relation active="#struct-419361" type="direct"/>
            <relation name="UMR104" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="laboratory" xml:id="struct-215109" status="VALID">
          <idno type="IdRef">149986475</idno>
          <idno type="RNSR">201220341M</idno>
          <idno type="ROR">0550dmh35</idno>
          <orgName>Centre Interdisciplinaire de Nanoscience de Marseille</orgName>
          <orgName type="acronym">CINaM</orgName>
          <date type="start">2008-01-01</date>
          <desc>
            <address>
              <addrLine>CINaM-CNRS Campus de Luminy Case 913 13288 Marseille Cedex 9</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.cinam.univ-mrs.fr/cinam/index.php</ref>
          </desc>
          <listRelation>
            <relation name="UMR7325 / UPR3118" active="#struct-198056" type="direct"/>
            <relation name="UMR7325 / UPR3118" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-300024" status="VALID">
          <idno type="ROR">https://ror.org/005y2ap84</idno>
          <orgName>ONERA</orgName>
          <desc>
            <address>
              <addrLine>Office National d’Études et de Recherches Aéronautiques29, avenue de la Division Leclerc - BP 72 - 92322 CHATILLON CEDEX</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.onera.fr/fr</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-419361" status="VALID">
          <idno type="IdRef">241345251</idno>
          <idno type="ROR">https://ror.org/03xjwb503</idno>
          <orgName>Université Paris-Saclay</orgName>
          <desc>
            <address>
              <addrLine>Bâtiment Bréguet, 3 Rue Joliot Curie 2e ét, 91190 Gif-sur-Yvette</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.universite-paris-saclay.fr/fr</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>
        <org type="institution" xml:id="struct-198056" status="VALID">
          <idno type="IdRef">15863621X</idno>
          <idno type="ISNI">0000 0001 2176 4817</idno>
          <idno type="ROR">https://ror.org/035xkbk20</idno>
          <orgName>Aix Marseille Université</orgName>
          <orgName type="acronym">AMU</orgName>
          <date type="start">2012-01-01</date>
          <desc>
            <address>
              <addrLine>Aix-Marseille UniversitéJardins du Pharo58 Boulevard Charles Livon13284 Marseille cedex 7</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.univ-amu.fr/</ref>
          </desc>
        </org>
      </listOrg>
    </back>
  </text>
</TEI>