Water splitting over graphene-based catalysts: Ab initio calculations

DC Field Value Language
dc.contributor.authorD. W. Boukhvalov-
dc.contributor.authorY.-W. Son-
dc.contributor.authorRodney S Ruoff-
dc.date.available2015-04-21T09:28:35Z-
dc.date.created2014-11-27-
dc.date.issued2014-06-
dc.identifier.issn2155-5435-
dc.identifier.urihttps://pr.ibs.re.kr/handle/8788114/1546-
dc.description.abstractWe present first-principles modeling of water oxidation over various graphene systems, such as nitrogen-doped graphene; graphene monolayers on iron, nickel, and copper surfaces; and bi- and trilayer graphene on copper surfaces. It is shown that nitrogen-doped graphene and graphene over copper are better for this reaction than those over platinum at temperatures below 100 °C. Bi- and trilayer graphene on copper have catalytic properties similar to those of a monolayer on copper.-
dc.languageENG-
dc.publisherAMER CHEMICAL SOC-
dc.titleWater splitting over graphene-based catalysts: Ab initio calculations-
dc.typeArticle-
dc.type.rimsA-
dc.identifier.wosid000337074700042-
dc.identifier.scopusid2-s2.0-84902192589-
dc.description.wostc26-
dc.date.tcdate2018-10-01-
dc.date.scptcdate2018-10-01-
dc.subject.keywordgraphene-
dc.subject.keywordwater splitting-
dc.subject.keywordoxidation-
dc.subject.keywordcarbocatalysis-
dc.subject.keywordDFT-
dc.subject.keywordmodeling-
dc.contributor.affiliatedAuthorRodney S Ruoff-
dc.identifier.bibliographicCitationACS CATALYSIS, v.4, no.6, pp.2016 - 2021-
dc.description.scptc29-
Appears in Collections:
Center for Multidimensional Carbon Materials(다차원 탄소재료 연구단) > Journal Papers (저널논문)
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