Hydrogen abstraction from a diamond(111) surface in a uniform electric field

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dc.contributor.authorRicca, Ako
dc.contributor.authorBauschlicher, CWko
dc.contributor.authorKang, Jeung Kuko
dc.contributor.authorMusgrave, CBko
dc.date.accessioned2013-03-02T13:55:51Z-
dc.date.available2013-03-02T13:55:51Z-
dc.date.created2012-02-06-
dc.date.created2012-02-06-
dc.date.issued1999-06-
dc.identifier.citationSURFACE SCIENCE, v.429, no.1-3, pp.199 - 205-
dc.identifier.issn0039-6028-
dc.identifier.urihttp://hdl.handle.net/10203/73850-
dc.description.abstractBond breaking in a strong electric field is shown to arise from a crossing of the ionic and covalent asymptotes. The specific example of hydrogen abstraction from a diamond(111) surface is studied using a cluster model. The addition of nearby atoms in both the parallel and perpendicular direction to the electric field are found to have an effect. It is also shown that the barrier is not solely related to the position of the ionic and covalent asymptotes. (C) 1999 Elsevier Science B.V. All rights reserved.-
dc.languageEnglish-
dc.publisherELSEVIER SCIENCE BV-
dc.titleHydrogen abstraction from a diamond(111) surface in a uniform electric field-
dc.typeArticle-
dc.identifier.wosid000081037200030-
dc.identifier.scopusid2-s2.0-0032648146-
dc.type.rimsART-
dc.citation.volume429-
dc.citation.issue1-3-
dc.citation.beginningpage199-
dc.citation.endingpage205-
dc.citation.publicationnameSURFACE SCIENCE-
dc.identifier.doi10.1016/S0039-6028(99)00377-5-
dc.contributor.localauthorKang, Jeung Ku-
dc.contributor.nonIdAuthorRicca, A-
dc.contributor.nonIdAuthorBauschlicher, CW-
dc.contributor.nonIdAuthorMusgrave, CB-
dc.type.journalArticleArticle-
dc.subject.keywordAuthorC-
dc.subject.keywordAuthorclusters-
dc.subject.keywordAuthordensity functional theory-
dc.subject.keywordAuthorfield effect-
dc.subject.keywordAuthorH-
dc.subject.keywordAuthorlow index single crystal-
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