<?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-02048259</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="2026-05-18T18:20:48+02:00"/>
      </publicationStmt>
      <sourceDesc>
        <p part="N">HAL API Platform</p>
      </sourceDesc>
    </fileDesc>
  </teiHeader>
  <text>
    <body>
      <listBibl>
        <biblFull>
          <titleStmt>
            <title xml:lang="en">Lithium Intercalation in Anatase Titanium Vacancies and the Role of Local Anionic Environment</title>
            <author role="aut">
              <persName>
                <forename type="first">Jiwei</forename>
                <surname>Ma</surname>
              </persName>
              <idno type="halauthorid">919929-0</idno>
              <affiliation ref="#struct-542075"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Wei</forename>
                <surname>Li</surname>
              </persName>
              <idno type="halauthorid">100222-0</idno>
              <affiliation ref="#struct-542075"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Benjamin</forename>
                <forename type="middle">J</forename>
                <surname>Morgan</surname>
              </persName>
              <idno type="halauthorid">1438452-0</idno>
              <affiliation ref="#struct-60512"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Jolanta</forename>
                <surname>Swiatoska</surname>
              </persName>
              <idno type="halauthorid">1532059-0</idno>
              <affiliation ref="#struct-260669"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Rita</forename>
                <surname>Baddour-Hadjean</surname>
              </persName>
              <email type="md5">adb181a4bb14fe042eb7141c582fb3c9</email>
              <email type="domain">icmpe.cnrs.fr</email>
              <idno type="idhal" notation="string">rita-baddour-hadjean</idno>
              <idno type="idhal" notation="numeric">178623</idno>
              <idno type="halauthorid" notation="string">4836-178623</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/G-5144-2011</idno>
              <idno type="ORCID">https://orcid.org/0000-0002-3158-1851</idno>
              <idno type="IDREF">https://www.idref.fr/13544957X</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/G-5144-2011</idno>
              <affiliation ref="#struct-24508"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Monique</forename>
                <surname>Body</surname>
              </persName>
              <email type="md5">67fdfb011b16487f16b349d6f9f777d4</email>
              <email type="domain">univ-lemans.fr</email>
              <idno type="idhal" notation="string">monique-body</idno>
              <idno type="idhal" notation="numeric">175059</idno>
              <idno type="halauthorid" notation="string">5525-175059</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/C-4720-2013</idno>
              <idno type="IDREF">https://www.idref.fr/102197547</idno>
              <idno type="ORCID">https://orcid.org/0000-0002-5895-3731</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/C-4720-2013</idno>
              <affiliation ref="#struct-203902"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Christophe</forename>
                <surname>Legein</surname>
              </persName>
              <email type="md5">34ea72f228ea807899f6414167ed9873</email>
              <email type="domain">univ-lemans.fr</email>
              <idno type="idhal" notation="string">christophe-legein</idno>
              <idno type="idhal" notation="numeric">169550</idno>
              <idno type="halauthorid" notation="string">3524-169550</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/B-3553-2008</idno>
              <idno type="ORCID">https://orcid.org/0000-0001-7426-8817</idno>
              <idno type="IDREF">https://www.idref.fr/17739868X</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/B-3553-2008</idno>
              <affiliation ref="#struct-203902"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Olaf</forename>
                <surname>Borkiewicz</surname>
              </persName>
              <idno type="halauthorid">867892-0</idno>
              <affiliation ref="#struct-49346"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Sandrine</forename>
                <surname>Leclerc</surname>
              </persName>
              <idno type="halauthorid">1165661-0</idno>
              <affiliation ref="#struct-542075"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Henri</forename>
                <surname>Groult</surname>
              </persName>
              <email type="md5">f8e6939e2c16446bcce0566af33a013b</email>
              <email type="domain">ccr.jussieu.fr</email>
              <idno type="idhal" notation="numeric">941645</idno>
              <idno type="halauthorid" notation="string">146270-941645</idno>
              <idno type="ORCID">https://orcid.org/0000-0003-4615-7663</idno>
              <idno type="IDREF">https://www.idref.fr/134392906</idno>
              <idno type="VIAF">https://viaf.org/viaf/187599416</idno>
              <idno type="ISNI">http://isni.org/isni/0000000386650751</idno>
              <affiliation ref="#struct-542075"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Frédéric</forename>
                <surname>Lantelme</surname>
              </persName>
              <idno type="halauthorid">146267-0</idno>
              <affiliation ref="#struct-542075"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Christel</forename>
                <surname>Laberty-Robert</surname>
              </persName>
              <email type="md5">a5e4ad129d4d20c023b306039639f7ad</email>
              <email type="domain">sorbonne-universite.fr</email>
              <idno type="idhal" notation="string">christel-laberty</idno>
              <idno type="idhal" notation="numeric">174585</idno>
              <idno type="halauthorid" notation="string">416320-174585</idno>
              <idno type="ORCID">https://orcid.org/0000-0003-3230-3164</idno>
              <idno type="IDREF">https://www.idref.fr/084148977</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/G-8847-2011</idno>
              <idno type="VIAF">https://viaf.org/viaf/189587694</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/G-8847-2011</idno>
              <affiliation ref="#struct-542010"/>
              <affiliation ref="#struct-1100823"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Damien</forename>
                <surname>Dambournet</surname>
              </persName>
              <email type="md5">28b4c12c06ca44b5262ebd534ae54555</email>
              <email type="domain">upmc.fr</email>
              <idno type="idhal" notation="numeric">968006</idno>
              <idno type="halauthorid" notation="string">302644-968006</idno>
              <affiliation ref="#struct-542075"/>
              <affiliation ref="#struct-1100823"/>
            </author>
            <editor role="depositor">
              <persName>
                <forename>Rita</forename>
                <surname>Baddour-Hadjean</surname>
              </persName>
              <email type="md5">adb181a4bb14fe042eb7141c582fb3c9</email>
              <email type="domain">icmpe.cnrs.fr</email>
            </editor>
            <funder ref="#projanr-26414"/>
          </titleStmt>
          <editionStmt>
            <edition n="v1" type="current">
              <date type="whenSubmitted">2024-10-18 16:17:18</date>
              <date type="whenModified">2026-02-13 15:40:32</date>
              <date type="whenReleased">2024-10-19 11:06:32</date>
              <date type="whenProduced">2018-04-07</date>
              <date type="whenEndEmbargoed">2024-10-18</date>
              <ref type="file" target="https://hal.science/hal-02048259v1/document">
                <date notBefore="2024-10-18"/>
              </ref>
              <ref type="file" subtype="author" n="1" target="https://hal.science/hal-02048259v1/file/f9dd7fce5ddf9b1b17aa744c3568fe3e.pdf" id="file-4744152-4131107">
                <date notBefore="2024-10-18"/>
              </ref>
              <ref type="externalLink" target="https://www.osti.gov/biblio/1484020"/>
            </edition>
            <respStmt>
              <resp>contributor</resp>
              <name key="495729">
                <persName>
                  <forename>Rita</forename>
                  <surname>Baddour-Hadjean</surname>
                </persName>
                <email type="md5">adb181a4bb14fe042eb7141c582fb3c9</email>
                <email type="domain">icmpe.cnrs.fr</email>
              </name>
            </respStmt>
          </editionStmt>
          <publicationStmt>
            <distributor>CCSD</distributor>
            <idno type="halId">hal-02048259</idno>
            <idno type="halUri">https://hal.science/hal-02048259</idno>
            <idno type="halBibtex">ma:hal-02048259</idno>
            <idno type="halRefHtml">&lt;i&gt;Chemistry of Materials&lt;/i&gt;, 2018, 30 (9), pp.3078-3089. &lt;a target="_blank" href="https://dx.doi.org/10.1021/acs.chemmater.8b00925"&gt;&amp;#x27E8;10.1021/acs.chemmater.8b00925&amp;#x27E9;&lt;/a&gt;</idno>
            <idno type="halRef">Chemistry of Materials, 2018, 30 (9), pp.3078-3089. &amp;#x27E8;10.1021/acs.chemmater.8b00925&amp;#x27E9;</idno>
            <availability status="restricted">
              <licence target="https://about.hal.science/hal-authorisation-v1/">HAL Authorization<ref corresp="#file-4744152-4131107"/></licence>
            </availability>
          </publicationStmt>
          <seriesStmt>
            <idno type="stamp" n="ENSCP" corresp="PARISTECH">Chimie ParisTech</idno>
            <idno type="stamp" n="UNIV-TLSE3">Université de Toulouse</idno>
            <idno type="stamp" n="UGA">HAL Grenoble Alpes</idno>
            <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="UNIV-PAU">Université de Pau et des Pays de l'Adour - E2S UPPA</idno>
            <idno type="stamp" n="UNIV-LEMANS">Université du Mans</idno>
            <idno type="stamp" n="ENSC-MONTPELLIER">Ecole Nationale Supérieure de Chimie de Montpellier</idno>
            <idno type="stamp" n="ENSC-PARIS">Ecole Nationale Supérieure de Chimie de Paris</idno>
            <idno type="stamp" n="INPG">Institut polytechnique de Grenoble</idno>
            <idno type="stamp" n="PARISTECH">ParisTech</idno>
            <idno type="stamp" n="LCMCP" corresp="SORBONNE-UNIVERSITE">Laboratoire de Chimie de la Matière Condensée de Paris</idno>
            <idno type="stamp" n="UPEC" corresp="CV_UPEC">Université Paris-Est Créteil Val-de-Marne</idno>
            <idno type="stamp" n="ICMPE" corresp="UPEC">Institut de Chimie et des Matériaux Paris-Est</idno>
            <idno type="stamp" n="INC-CNRS">Institut de Chimie du CNRS</idno>
            <idno type="stamp" n="PHENIX" corresp="SORBONNE-UNIVERSITE">PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX</idno>
            <idno type="stamp" n="LCMCP-MHN" corresp="LCMCP">Matériaux Hybrides et Nanomatériaux</idno>
            <idno type="stamp" n="PSL">Université Paris sciences et lettres</idno>
            <idno type="stamp" n="UNIV-MONTPELLIER">Université de Montpellier</idno>
            <idno type="stamp" n="SITE-ALSACE">Archive ouverte du site Alsace</idno>
            <idno type="stamp" n="SORBONNE-UNIVERSITE">Sorbonne Université</idno>
            <idno type="stamp" n="SORBONNE-UNIV" corresp="SORBONNE-UNIVERSITE">Sorbonne Université 01/01/2018</idno>
            <idno type="stamp" n="LCMCP-RMES" corresp="LCMCP">Reactive Materials for Electrochemical Systems </idno>
            <idno type="stamp" n="SU-SCIENCES" corresp="SORBONNE-UNIVERSITE">Faculté des Sciences de Sorbonne Université</idno>
            <idno type="stamp" n="SU-SCI" corresp="SORBONNE-UNIVERSITE">Sciences - Sorbonne Université</idno>
            <idno type="stamp" n="IMMM-LEMANS" corresp="UNIV-LEMANS">Institut des Molécules et Matériaux du Mans</idno>
            <idno type="stamp" n="TEST-HALCNRS">Collection test HAL CNRS</idno>
            <idno type="stamp" n="ENSCP-PSL" corresp="PSL">Chimie ParisTech - PSL</idno>
            <idno type="stamp" n="CDF-PSL" corresp="PSL">Collège de France - PSL </idno>
            <idno type="stamp" n="UGA-COMUE">Université Grenoble Alpes [2016-2019]</idno>
            <idno type="stamp" n="SU-TI">Sorbonne Université - Texte Intégral</idno>
            <idno type="stamp" n="ANR">ANR</idno>
            <idno type="stamp" n="UPPA-OA" corresp="UNIV-PAU">uppa-oa</idno>
            <idno type="stamp" n="ALLIANCE-SU"> Alliance Sorbonne Université</idno>
            <idno type="stamp" n="TOULOUSE-INP">Toulouse - INP</idno>
            <idno type="stamp" n="NANTES-UNIVERSITE">Nantes Université</idno>
            <idno type="stamp" n="UNIV-UT3">Université Toulouse 3</idno>
            <idno type="stamp" n="UT3-INP">Université de Toulouse / Toulouse INP</idno>
            <idno type="stamp" n="UT3-TOULOUSEINP">Université de Toulouse / Toulouse INP</idno>
            <idno type="stamp" n="UM-2015-2021" corresp="UNIV-MONTPELLIER">Université de Montpellier (2015-2021)</idno>
            <idno type="stamp" n="UM-EPE" corresp="UNIV-MONTPELLIER">Université de Montpellier - EPE</idno>
            <idno type="stamp" n="TEST2-HALCNRS">TEST2-HALCNRS</idno>
            <idno type="stamp" n="CHIMIE-SU" corresp="SORBONNE-UNIVERSITE">UFR de Chimie de Sorbonne-Université</idno>
            <idno type="stamp" n="SUPRA_PHYS_CHIMIE">Physico-Chimie</idno>
            <idno type="stamp" n="TEST-UPEC-ODD" corresp="UPEC">TEST UPEC ODD</idno>
            <idno type="stamp" n="TEST-UGA">TEST-UGA</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">Lithium Intercalation in Anatase Titanium Vacancies and the Role of Local Anionic Environment</title>
                <author role="aut">
                  <persName>
                    <forename type="first">Jiwei</forename>
                    <surname>Ma</surname>
                  </persName>
                  <idno type="halauthorid">919929-0</idno>
                  <affiliation ref="#struct-542075"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Wei</forename>
                    <surname>Li</surname>
                  </persName>
                  <idno type="halauthorid">100222-0</idno>
                  <affiliation ref="#struct-542075"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Benjamin</forename>
                    <forename type="middle">J</forename>
                    <surname>Morgan</surname>
                  </persName>
                  <idno type="halauthorid">1438452-0</idno>
                  <affiliation ref="#struct-60512"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Jolanta</forename>
                    <surname>Swiatoska</surname>
                  </persName>
                  <idno type="halauthorid">1532059-0</idno>
                  <affiliation ref="#struct-260669"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Rita</forename>
                    <surname>Baddour-Hadjean</surname>
                  </persName>
                  <email type="md5">adb181a4bb14fe042eb7141c582fb3c9</email>
                  <email type="domain">icmpe.cnrs.fr</email>
                  <idno type="idhal" notation="string">rita-baddour-hadjean</idno>
                  <idno type="idhal" notation="numeric">178623</idno>
                  <idno type="halauthorid" notation="string">4836-178623</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/G-5144-2011</idno>
                  <idno type="ORCID">https://orcid.org/0000-0002-3158-1851</idno>
                  <idno type="IDREF">https://www.idref.fr/13544957X</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/G-5144-2011</idno>
                  <affiliation ref="#struct-24508"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Monique</forename>
                    <surname>Body</surname>
                  </persName>
                  <email type="md5">67fdfb011b16487f16b349d6f9f777d4</email>
                  <email type="domain">univ-lemans.fr</email>
                  <idno type="idhal" notation="string">monique-body</idno>
                  <idno type="idhal" notation="numeric">175059</idno>
                  <idno type="halauthorid" notation="string">5525-175059</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/C-4720-2013</idno>
                  <idno type="IDREF">https://www.idref.fr/102197547</idno>
                  <idno type="ORCID">https://orcid.org/0000-0002-5895-3731</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/C-4720-2013</idno>
                  <affiliation ref="#struct-203902"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Christophe</forename>
                    <surname>Legein</surname>
                  </persName>
                  <email type="md5">34ea72f228ea807899f6414167ed9873</email>
                  <email type="domain">univ-lemans.fr</email>
                  <idno type="idhal" notation="string">christophe-legein</idno>
                  <idno type="idhal" notation="numeric">169550</idno>
                  <idno type="halauthorid" notation="string">3524-169550</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/B-3553-2008</idno>
                  <idno type="ORCID">https://orcid.org/0000-0001-7426-8817</idno>
                  <idno type="IDREF">https://www.idref.fr/17739868X</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/B-3553-2008</idno>
                  <affiliation ref="#struct-203902"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Olaf</forename>
                    <surname>Borkiewicz</surname>
                  </persName>
                  <idno type="halauthorid">867892-0</idno>
                  <affiliation ref="#struct-49346"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Sandrine</forename>
                    <surname>Leclerc</surname>
                  </persName>
                  <idno type="halauthorid">1165661-0</idno>
                  <affiliation ref="#struct-542075"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Henri</forename>
                    <surname>Groult</surname>
                  </persName>
                  <email type="md5">f8e6939e2c16446bcce0566af33a013b</email>
                  <email type="domain">ccr.jussieu.fr</email>
                  <idno type="idhal" notation="numeric">941645</idno>
                  <idno type="halauthorid" notation="string">146270-941645</idno>
                  <idno type="ORCID">https://orcid.org/0000-0003-4615-7663</idno>
                  <idno type="IDREF">https://www.idref.fr/134392906</idno>
                  <idno type="VIAF">https://viaf.org/viaf/187599416</idno>
                  <idno type="ISNI">http://isni.org/isni/0000000386650751</idno>
                  <affiliation ref="#struct-542075"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Frédéric</forename>
                    <surname>Lantelme</surname>
                  </persName>
                  <idno type="halauthorid">146267-0</idno>
                  <affiliation ref="#struct-542075"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Christel</forename>
                    <surname>Laberty-Robert</surname>
                  </persName>
                  <email type="md5">a5e4ad129d4d20c023b306039639f7ad</email>
                  <email type="domain">sorbonne-universite.fr</email>
                  <idno type="idhal" notation="string">christel-laberty</idno>
                  <idno type="idhal" notation="numeric">174585</idno>
                  <idno type="halauthorid" notation="string">416320-174585</idno>
                  <idno type="ORCID">https://orcid.org/0000-0003-3230-3164</idno>
                  <idno type="IDREF">https://www.idref.fr/084148977</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/G-8847-2011</idno>
                  <idno type="VIAF">https://viaf.org/viaf/189587694</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/G-8847-2011</idno>
                  <affiliation ref="#struct-542010"/>
                  <affiliation ref="#struct-1100823"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Damien</forename>
                    <surname>Dambournet</surname>
                  </persName>
                  <email type="md5">28b4c12c06ca44b5262ebd534ae54555</email>
                  <email type="domain">upmc.fr</email>
                  <idno type="idhal" notation="numeric">968006</idno>
                  <idno type="halauthorid" notation="string">302644-968006</idno>
                  <affiliation ref="#struct-542075"/>
                  <affiliation ref="#struct-1100823"/>
                </author>
              </analytic>
              <monogr>
                <idno type="halJournalId" status="VALID">11637</idno>
                <idno type="issn">0897-4756</idno>
                <idno type="eissn">1520-5002</idno>
                <title level="j">Chemistry of Materials</title>
                <imprint>
                  <publisher>American Chemical Society</publisher>
                  <biblScope unit="volume">30</biblScope>
                  <biblScope unit="issue">9</biblScope>
                  <biblScope unit="pp">3078-3089</biblScope>
                  <date type="datePub">2018-04-07</date>
                </imprint>
              </monogr>
              <idno type="doi">10.1021/acs.chemmater.8b00925</idno>
              <ref type="publisher">https://pubs.acs.org/doi/10.1021/acs.chemmater.8b00925</ref>
            </biblStruct>
          </sourceDesc>
          <profileDesc>
            <langUsage>
              <language ident="en">English</language>
            </langUsage>
            <textClass>
              <keywords scheme="author">
                <term xml:lang="en">Oxides</term>
                <term xml:lang="en">Diffusion</term>
                <term xml:lang="en">Defects in solids</term>
                <term xml:lang="en">Minerals</term>
                <term xml:lang="en">Lithium</term>
              </keywords>
              <classCode scheme="halDomain" n="chim">Chemical Sciences</classCode>
              <classCode scheme="halDomain" n="chim.mate">Chemical Sciences/Material 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 structure of bulk and nondefective compounds is generally described with crystal models built from well mastered techniques such the analysis of an X-ray diffractogram. The presence of defects, such as cat-ionic vacancies, locally disrupt the long-range order, with the appearance of local structures with order extending only a few nanometers. To probe and describe the electrochemical properties of cation-deficient anatase, we investigated a series of materials having different concentrations of vacancies, i.e., Ti 1−x−y □ x+y O 2−4(x+y) F 4x (OH) 4y , and compared their properties with respect to defect-free stoichiometric anatase TiO 2. At first, we characterized the series of materials Ti 1−x−y □ x+y O 2−4(x+y) F 4x (OH) 4y by means of pair distribution function (PDF), 19 F nuclear magnetic resonance (NMR), Raman and X-ray photoelectron spectroscopies, to probe the compositional and structural features. Second, we characterized the insertion electrochemical properties vs metallic lithium where we emphasized the beneficial role of the vacancies on the cyclability of the electrode under high Crate , with performances scaling with the concentration of vacancies. The improved properties were explained by the change of the lithium insertion mechanism due to the presence of the vacancies, which act as host sites and suppress the phase transition typically observed in pure TiO 2 , and further favor diffusive transport of lithium within the structure. NMR spectroscopy performed on lithiated samples provides evidence for the insertion of lithium in vacancies. By combining electrochemistry and DFT-calculations , we characterized the electrochemical signatures of the lithium insertion in the vacancies. Importantly, we found that the insertion voltage largely depends on the local anionic environment of the vacancy with a fluoride and hydroxide-rich environments , yielding high and low insertion voltages, respectively. This work further supports the beneficial use of defects engineering in electrodes for batteries and provides new fundamental knowledge in the insertion chemistry of cationic vacancies as host sites.</p>
            </abstract>
          </profileDesc>
        </biblFull>
      </listBibl>
    </body>
    <back>
      <listOrg type="structures">
        <org type="laboratory" xml:id="struct-542075" status="VALID">
          <idno type="IdRef">240312139</idno>
          <idno type="ISNI">0000000403700264</idno>
          <idno type="RNSR">201420765P</idno>
          <idno type="ROR">https://ror.org/046htjf88</idno>
          <orgName>PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX</orgName>
          <orgName type="acronym">PHENIX</orgName>
          <date type="start">2018-01-01</date>
          <desc>
            <address>
              <addrLine>Sorbonne Université, Case Courrier 51 4 place Jussieu -- 72522 Paris Cedex 5, FRANCE</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.phenix.cnrs.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-341038" type="direct"/>
            <relation active="#struct-413221" type="direct"/>
            <relation name="UMR8234" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-60512" status="VALID">
          <orgName>University of Bath [Bath]</orgName>
          <desc>
            <address>
              <addrLine>laverton Down, Bath, North East Somerset BA2 7AY</addrLine>
              <country key="GB"/>
            </address>
            <ref type="url">http://www.bath.ac.uk/</ref>
          </desc>
        </org>
        <org type="laboratory" xml:id="struct-260669" status="VALID">
          <idno type="ISNI">000000010412392X</idno>
          <idno type="RNSR">201420753B</idno>
          <idno type="ROR">https://ror.org/02s6m8n84</idno>
          <orgName>Institut de Recherche de Chimie Paris</orgName>
          <orgName type="acronym">IRCP</orgName>
          <date type="start">2014-01-01</date>
          <desc>
            <address>
              <addrLine>Chimie ParisTech - PSL, 11 rue Pierre et Marie Curie, 75005 Paris</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://ircp.cnrs.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-300372" type="direct"/>
            <relation active="#struct-564132" type="indirect"/>
            <relation active="#struct-341038" type="direct"/>
            <relation name="UMR8247 " active="#struct-441569" type="direct"/>
            <relation active="#struct-542949" type="direct"/>
          </listRelation>
        </org>
        <org type="laboratory" xml:id="struct-24508" status="VALID">
          <idno type="IdRef">151778647</idno>
          <idno type="ISNI">0000000086261156</idno>
          <idno type="RNSR">200712561C</idno>
          <idno type="ROR">https://ror.org/04c3cen15</idno>
          <idno type="Wikidata">Q33121454</idno>
          <orgName>Institut de Chimie et des Matériaux Paris-Est</orgName>
          <orgName type="acronym">ICMPE</orgName>
          <desc>
            <address>
              <addrLine>2-8, rue Henri Dunant 94320 Thiais</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.icmpe.cnrs.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-341038" type="direct"/>
            <relation name="UMR7182" active="#struct-420786" type="direct"/>
            <relation name="UMR7182" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="laboratory" xml:id="struct-203902" status="VALID">
          <idno type="IdRef">162394462</idno>
          <idno type="ISNI">0000000403849149</idno>
          <idno type="RNSR">201220197F</idno>
          <idno type="ROR">https://ror.org/03a9gd656</idno>
          <orgName>Institut des Molécules et Matériaux du Mans</orgName>
          <orgName type="acronym">IMMM</orgName>
          <date type="start">2012-01-01</date>
          <desc>
            <address>
              <addrLine>UFR Sciences et Techniques - Le Mans Université - Avenue Olivier Messiaen - 72085 LE MANS Cedex 9</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.univ-lemans.fr/fr/recherche/laboratoires_de_recherche/irim2f.html</ref>
          </desc>
          <listRelation>
            <relation active="#struct-7566" type="direct"/>
            <relation active="#struct-341038" type="direct"/>
            <relation name="UMR6283" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-49346" status="VALID">
          <idno type="ROR">https://ror.org/05gvnxz63</idno>
          <orgName>Argonne National Laboratory [Lemont]</orgName>
          <orgName type="acronym">ANL</orgName>
          <desc>
            <address>
              <addrLine>9700 S Cass Ave B109, Lemont, IL, 60439</addrLine>
              <country key="US"/>
            </address>
            <ref type="url">http://www.anl.gov</ref>
          </desc>
        </org>
        <org type="laboratory" xml:id="struct-542010" status="VALID">
          <idno type="IdRef">240311051</idno>
          <idno type="ISNI">0000 0004 0369 7931</idno>
          <idno type="RNSR">199712620K</idno>
          <idno type="ROR">https://ror.org/028ta1f94</idno>
          <orgName>Laboratoire de Chimie de la Matière Condensée de Paris</orgName>
          <orgName type="acronym">LCMCP</orgName>
          <date type="start">2014-01-01</date>
          <desc>
            <address>
              <addrLine>Sorbonne Université4 place Jussieu75252 Paris cedex 05</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.labos.upmc.fr/lcmcp</ref>
          </desc>
          <listRelation>
            <relation active="#struct-341038" type="direct"/>
            <relation active="#struct-413221" type="direct"/>
            <relation name="UMR7574" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="laboratory" xml:id="struct-1100823" status="OLD">
          <idno type="IdRef">194226891</idno>
          <idno type="RNSR">201120480T</idno>
          <idno type="ROR">https://ror.org/00190j002</idno>
          <orgName>Réseau sur le stockage électrochimique de l'énergie</orgName>
          <orgName type="acronym">RS2E</orgName>
          <date type="start">2022-01-01</date>
          <date type="end">2025-01-01</date>
          <desc>
            <address>
              <addrLine>33 rue Saint-Leu - 80039 AMIENS CEDEX 1</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.energie-rs2e.com/en</ref>
          </desc>
          <listRelation>
            <relation active="#struct-198056" type="direct"/>
            <relation active="#struct-217752" type="direct"/>
            <relation active="#struct-443875" type="indirect"/>
            <relation active="#struct-237692" type="direct"/>
            <relation active="#struct-300026" type="direct"/>
            <relation active="#struct-300372" type="direct"/>
            <relation active="#struct-564132" type="indirect"/>
            <relation active="#struct-301085" type="direct"/>
            <relation active="#struct-341038" type="direct"/>
            <relation name="FR3459" active="#struct-413221" type="direct"/>
            <relation name="FR3459" active="#struct-441569" type="direct"/>
            <relation active="#struct-448187" type="direct"/>
            <relation name="FR3459" active="#struct-1043329" type="direct"/>
            <relation active="#struct-1042703" type="indirect"/>
            <relation active="#struct-1083366" type="direct"/>
            <relation active="#struct-1100589" type="direct"/>
            <relation active="#struct-1100619" 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-413221" status="VALID">
          <idno type="IdRef">221333754</idno>
          <idno type="ROR">https://ror.org/02en5vm52</idno>
          <orgName>Sorbonne Université</orgName>
          <orgName type="acronym">SU</orgName>
          <date type="start">2018-01-01</date>
          <desc>
            <address>
              <addrLine>21 rue de l’École de médecine - 75006 Paris</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.sorbonne-universite.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-300372" status="VALID">
          <idno type="ROR">https://ror.org/05q65zh81</idno>
          <orgName>Ecole Nationale Supérieure de Chimie de Paris - Chimie ParisTech-PSL</orgName>
          <orgName type="acronym">ENSCP</orgName>
          <date type="start">2016-09-15</date>
          <desc>
            <address>
              <addrLine>11, rue Pierre et Marie Curie75231 Paris Cedex 05</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.chimie-paristech.fr/fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-564132" type="direct"/>
          </listRelation>
        </org>
        <org type="regroupinstitution" xml:id="struct-564132" status="VALID">
          <idno type="IdRef">241597595</idno>
          <idno type="ISNI">0000 0004 1784 3645</idno>
          <idno type="ROR">https://ror.org/013cjyk83</idno>
          <orgName>Université Paris Sciences et Lettres</orgName>
          <orgName type="acronym">PSL</orgName>
          <desc>
            <address>
              <addrLine>60 rue Mazarine 75006 Paris</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.psl.eu/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-542949" status="VALID">
          <orgName>Ministère de la Culture</orgName>
          <orgName type="acronym">MC</orgName>
          <date type="start">2017-05-17</date>
          <desc>
            <address>
              <addrLine>182 rue Saint-Honoré 75001 Pariis</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.culture.gouv.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-420786" status="VALID">
          <idno type="IdRef">028021037</idno>
          <idno type="ISNI">0000000121497878</idno>
          <idno type="ROR">https://ror.org/05ggc9x40</idno>
          <orgName>Université Paris-Est Créteil Val-de-Marne - Paris 12</orgName>
          <orgName type="acronym">UPEC UP12</orgName>
          <date type="start">1970-01-01</date>
          <desc>
            <address>
              <addrLine>61 avenue du Général de Gaulle - 94010 Créteil cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.u-pec.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-7566" status="VALID">
          <idno type="ROR">https://ror.org/01mtcc283</idno>
          <orgName>Le Mans Université</orgName>
          <orgName type="acronym">UM</orgName>
          <desc>
            <address>
              <addrLine>Avenue Olivier Messiaen - 72085 Le Mans cedex 9</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.univ-lemans.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>
        <org type="institution" xml:id="struct-217752" status="OLD">
          <idno type="IdRef">026404672</idno>
          <idno type="ISNI">0000000121617331</idno>
          <idno type="ROR">https://ror.org/02v6kpv12</idno>
          <idno type="Wikidata">Q1273188</idno>
          <orgName>Université Toulouse III - Paul Sabatier</orgName>
          <orgName type="acronym">UT3</orgName>
          <date type="end">2025-01-01</date>
          <desc>
            <address>
              <addrLine>118 route de Narbonne - 31062 Toulouse</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.univ-tlse3.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-443875" type="direct"/>
          </listRelation>
        </org>
        <org type="regroupinstitution" xml:id="struct-443875" status="VALID">
          <idno type="ROR">https://ror.org/017tgbk05</idno>
          <orgName>Communauté d'universités et établissements de Toulouse</orgName>
          <orgName type="acronym">Comue de Toulouse</orgName>
          <desc>
            <address>
              <addrLine>41 Allée Jules Guesde, 31000 Toulouse</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.univ-toulouse.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-237692" status="VALID">
          <idno type="IdRef">026403250</idno>
          <idno type="ISNI">0000000404735039</idno>
          <idno type="ROR">https://ror.org/04k8k6n84</idno>
          <orgName>Université de Haute-Alsace (UHA) Mulhouse - Colmar</orgName>
          <orgName type="acronym">Université de Haute-Alsace (UHA)</orgName>
          <desc>
            <address>
              <addrLine>2, rue des Frères Lumière F-68093 Mulhouse Cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.uha.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-300026" status="VALID">
          <orgName>Collège de France</orgName>
          <orgName type="acronym">CdF (institution)</orgName>
          <desc>
            <address>
              <country key="FR"/>
            </address>
          </desc>
        </org>
        <org type="institution" xml:id="struct-301085" status="VALID">
          <idno type="IdRef">026403668</idno>
          <idno type="ISNI">000000012289818X</idno>
          <idno type="ROR">https://ror.org/01frn9647</idno>
          <idno type="Wikidata">Q572968</idno>
          <orgName>Université de Pau et des Pays de l'Adour</orgName>
          <orgName type="acronym">UPPA</orgName>
          <date type="start">1970-12-17</date>
          <desc>
            <address>
              <addrLine>Avenue de l'Université - BP 576 - 64012 Pau Cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.univ-pau.fr/fr/index.html</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-448187" status="VALID">
          <idno type="IdRef">026388820</idno>
          <idno type="ISNI">0000000121766169</idno>
          <idno type="ROR">https://ror.org/033p9g875</idno>
          <orgName>Institut National Polytechnique (Toulouse)</orgName>
          <orgName type="acronym">Toulouse INP</orgName>
          <desc>
            <address>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.inp-toulouse.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-443875" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-1043329" status="VALID">
          <idno type="IdRef">026388804</idno>
          <idno type="ROR">https://ror.org/05sbt2524</idno>
          <orgName>Institut polytechnique de Grenoble - Grenoble Institute of Technology</orgName>
          <orgName type="acronym">Grenoble INP</orgName>
          <date type="start">2020-01-01</date>
          <desc>
            <address>
              <addrLine>46 avenue Félix Viallet 38031 Grenoble Cedex 1</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.grenoble-inp.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-1042703" type="direct"/>
          </listRelation>
        </org>
        <org type="regroupinstitution" xml:id="struct-1042703" status="VALID">
          <idno type="IdRef">240648315</idno>
          <idno type="ROR">https://ror.org/02rx3b187</idno>
          <orgName>Université Grenoble Alpes</orgName>
          <orgName type="acronym">UGA</orgName>
          <date type="start">2020-01-01</date>
          <desc>
            <address>
              <addrLine>Adresse CS 40700 - 38058 Grenoble cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.univ-grenoble-alpes.fr</ref>
          </desc>
        </org>
        <org type="regroupinstitution" xml:id="struct-1083366" status="VALID">
          <idno type="IdRef">258086599</idno>
          <idno type="ROR">https://ror.org/03gnr7b55</idno>
          <orgName>Nantes Université</orgName>
          <orgName type="acronym">Nantes Univ</orgName>
          <date type="start">2022-01-01</date>
          <desc>
            <address>
              <country key="FR"/>
            </address>
          </desc>
        </org>
        <org type="regroupinstitution" xml:id="struct-1100589" status="VALID">
          <idno type="ROR">https://ror.org/051escj72</idno>
          <orgName>Université de Montpellier</orgName>
          <orgName type="acronym">UM</orgName>
          <date type="start">2022-01-01</date>
          <desc>
            <address>
              <addrLine>163 rue Auguste Broussonnet - 34090 Montpellier</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.umontpellier.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-1100619" status="VALID">
          <idno type="ROR">https://ror.org/03sgyqj04</idno>
          <orgName>Ecole Nationale Supérieure de Chimie de Montpellier</orgName>
          <orgName type="acronym">ENSCM</orgName>
          <date type="start">2022-01-01</date>
          <desc>
            <address>
              <addrLine>8 Rue de l'Ecole Normale 34296 Montpellier Cedex 5</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.enscm.fr</ref>
          </desc>
          <listRelation>
            <relation active="#struct-1100589" type="direct"/>
          </listRelation>
        </org>
      </listOrg>
      <listOrg type="projects">
        <org type="anrProject" xml:id="projanr-26414" status="VALID">
          <idno type="anr">ANR-11-IDEX-0004</idno>
          <orgName>SUPER</orgName>
          <desc>Sorbonne Universités à Paris pour l'Enseignement et la Recherche</desc>
          <date type="start">2011</date>
        </org>
      </listOrg>
    </back>
  </text>
</TEI>