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Phys."],"abstract":"<jats:p>\n                    We report the first\n                    <jats:italic>ab initio<\/jats:italic>\n                    molecular dynamics investigation of the structural organization and reactivity at realistic bilayer graphene (BLG)\u2013methanol interface models under high-pressure conditions.\n                  <\/jats:p>","DOI":"10.1039\/d5cp00605h","type":"journal-article","created":{"date-parts":[[2025,4,22]],"date-time":"2025-04-22T10:57:27Z","timestamp":1745319447000},"page":"10153-10165","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Structural transitions at the bilayer graphene\u2013methanol interface from\n                    <i>ab initio<\/i>\n                    molecular dynamics"],"prefix":"10.1039","volume":"27","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2857-3188","authenticated-orcid":false,"given":"Flavio Siro","family":"Brigiano","sequence":"first","affiliation":[{"name":"Sorbonne Universite, Laboratoire de Chimie Theorique, CNRS UMR 7616, Paris, 75005, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thomas","family":"Th\u00e9venet","sequence":"additional","affiliation":[{"name":"Sorbonne Universite, Laboratoire de Chimie Theorique, CNRS UMR 7616, Paris, 75005, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alexis","family":"Markovits","sequence":"additional","affiliation":[{"name":"Sorbonne Universite, Laboratoire de Chimie Theorique, CNRS UMR 7616, Paris, 75005, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Julia","family":"Contreras-Garc\u00eda","sequence":"additional","affiliation":[{"name":"Sorbonne Universite, Laboratoire de Chimie Theorique, CNRS UMR 7616, Paris, 75005, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alfonso San","family":"Miguel","sequence":"additional","affiliation":[{"name":"Sorbonne Universite, Museum National d'Histoire Naturelle, UMR CNRS 7590, IRD, Institut de Mineralogie, de Physique des Materiaux et de Cosmochimie, IMPMC, F-75005 Paris, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Fabio","family":"Pietrucci","sequence":"additional","affiliation":[{"name":"Institut Lumiere Matiere, UMR5306 Universite Lyon 1-CNRS, Universite de Lyon, Villeurbanne, F-69622, cedex, France"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"key":"D5CP00605H\/cit1\/1","doi-asserted-by":"crossref","first-page":"11193","DOI":"10.1021\/acs.jpcc.0c01898","volume":"124","author":"Forestier","year":"2020","journal-title":"J. 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