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Theoretical insight into vibrational spectra of metal-water interfaces from density functional theory based molecular dynamics

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dc.contributor.authorLe, Jiabo
dc.contributor.authorFan, Qiyuan
dc.contributor.authorPerez-Martinez, Laura
dc.contributor.authorCuesta Ciscar, Angel
dc.contributor.authorCheng, Jun
dc.contributor.institutionUniversity of Aberdeen.Natural & Computing Sciencesen
dc.contributor.institutionUniversity of Aberdeen.Centre for Energy Transitionen
dc.contributor.institutionUniversity of Aberdeen.Chemistryen
dc.date.accessioned2019-04-08T23:03:49Z
dc.date.available2019-04-08T23:03:49Z
dc.date.embargoedUntil2019-04-09
dc.date.issued2018
dc.descriptionAcknowledgements J. C. is grateful for funding support from the National Natural Science Foundation of China (Grants No. 21373166 and 21621091), and the Thousand Youth Talents Program of China.en
dc.description.statusPeer revieweden
dc.format.extent5
dc.format.extent7798408
dc.identifier118587018
dc.identifier84cfbcea-93fc-4b3a-94dd-000dadbee5f6
dc.identifier85046634783
dc.identifier.citationLe, J, Fan, Q, Perez-Martinez, L, Cuesta Ciscar, A & Cheng, J 2018, 'Theoretical insight into vibrational spectra of metal-water interfaces from density functional theory based molecular dynamics', Physical Chemistry Chemical Physics, vol. 20, no. 17, pp. 11554-11558. https://doi.org/10.1039/C8CP00615Fen
dc.identifier.doi10.1039/C8CP00615F
dc.identifier.iss17en
dc.identifier.issn1463-9076
dc.identifier.otherORCID: /0000-0003-4243-1848/work/47846888
dc.identifier.urihttp://hdl.handle.net/2164/12149
dc.identifier.vol20en
dc.language.isoeng
dc.relation.ispartofPhysical Chemistry Chemical Physicsen
dc.subjectSelfen
dc.subjectOwnershipen
dc.subjectChoiceen
dc.subjectLearningen
dc.subjectMemoryen
dc.subjectEducationen
dc.subjectQD Chemistryen
dc.subject.lccQDen
dc.titleTheoretical insight into vibrational spectra of metal-water interfaces from density functional theory based molecular dynamicsen
dc.typeJournal articleen

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