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dc.contributor.authorCheng, Yingchun
dc.contributor.authorKaloni, Thaneshwor P.
dc.contributor.authorSchwingenschlögl, Udo
dc.contributor.authorZhu, Zhiyong
dc.date.accessioned2014-04-13T09:41:24Z
dc.date.available2014-04-13T09:41:24Z
dc.date.issued2012-08-17
dc.identifier.citationCheng YC, Kaloni TP, Zhu ZY, Schwingenschlögl U (2012) Oxidation of graphene in ozone under ultraviolet light. Appl Phys Lett 101: 073110. doi:10.1063/1.4746261.
dc.identifier.issn00036951
dc.identifier.doi10.1063/1.4746261
dc.identifier.urihttp://hdl.handle.net/10754/315731
dc.description.abstractBased on first-principles calculations, the process of grapheneoxidation in ozone under ultraviolet light is explored by studying the effects of O(3P) on the structural and electronic properties of a graphene sheet. On initial absorption of O(3P), an epoxy group is formed on the graphene sheet and the Dirac cone is shifted away from the Brillouin zone corners without carrier doping. When the oxidation progresses, an adjacent C-C bond is broken, a vacancy is formed, and CO and/or CO2 molecules are released.
dc.language.isoen
dc.publisherAIP Publishing
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/apl/101/7/10.1063/1.4746261
dc.rightsArchived with thanks to Applied Physics Letters
dc.titleOxidation of graphene in ozone under ultraviolet light
dc.typeArticle
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Division
dc.contributor.departmentComputational Physics and Materials Science (CPMS)
dc.identifier.journalApplied Physics Letters
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionDepartment of Electrical Engineering and Computer Science, University of Michigan, 1301 Beal Avenue, Ann Arbor, MI 48109-2122, United States
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
kaust.personCheng, Yingchun
kaust.personKaloni, Thaneshwor P.
kaust.personZhu, Zhiyong
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-14T03:23:11Z


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