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Determining Potentials of Zero Charge of Metal Electrodes versus the Standard Hydrogen Electrode from Density-Functional-Theory-Based Molecular Dynamics

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dc.contributor.authorLe, Jiabo
dc.contributor.authorIannuzzi, Marcella
dc.contributor.authorCuesta, Angel
dc.contributor.authorCheng, Jun
dc.contributor.institutionUniversity of Aberdeen.Natural & Computing Sciencesen
dc.contributor.institutionUniversity of Aberdeen.Chemistryen
dc.contributor.institutionUniversity of Aberdeen.Energyen
dc.contributor.institutionUniversity of Aberdeen.Centre for Energy Transitionen
dc.date.accessioned2017-07-06T12:00:30Z
dc.date.available2017-07-06T12:00:30Z
dc.date.issued2017-07-07
dc.descriptionJ. Le thanks University of Aberdeen for a PhD studentship. We thank the UKCP consortium program on ARCHER, and Maxwell at University of Aberdeen for computing time. J. C. is grateful for funding support by the National Natural Science Foundation of China (Grant No. 21373166 and 21621091), and the Thousand Youth Talents Program of China.en
dc.description.statusPeer revieweden
dc.format.extent6
dc.format.extent590787
dc.identifier100725031
dc.identifier4a6c45bb-8d92-436e-9e5d-b9fa2ba0f99f
dc.identifier28731734
dc.identifier85022202125
dc.identifier.citationLe, J, Iannuzzi, M, Cuesta, A & Cheng, J 2017, 'Determining Potentials of Zero Charge of Metal Electrodes versus the Standard Hydrogen Electrode from Density-Functional-Theory-Based Molecular Dynamics', Physical Review Letters, vol. 119, no. 1, 016801. https://doi.org/10.1103/PhysRevLett.119.016801en
dc.identifier.doi10.1103/PhysRevLett.119.016801
dc.identifier.iss1en
dc.identifier.issn0031-9007
dc.identifier.otherORCID: /0000-0003-4243-1848/work/47846871
dc.identifier.urihttp://hdl.handle.net/2164/8931
dc.identifier.vol119en
dc.language.isoeng
dc.relation.ispartofPhysical Review Lettersen
dc.subjectQC Physicsen
dc.subject.lccQCen
dc.titleDetermining Potentials of Zero Charge of Metal Electrodes versus the Standard Hydrogen Electrode from Density-Functional-Theory-Based Molecular Dynamicsen
dc.typeJournal articleen

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