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dc.contributor.authorSingh, Nirpendra
dc.contributor.authorKaloni, Thaneshwor P.
dc.contributor.authorSchwingenschlögl, Udo
dc.date.accessioned2014-03-23T08:28:23Z
dc.date.available2014-03-23T08:28:23Z
dc.date.issued2013-01-14
dc.identifier.citationSingh N, Kaloni TP, Schwingenschlögl U (2013) A first-principles investigation of the optical spectra of oxidized graphene. Appl Phys Lett 102: 023101. doi:10.1063/1.4781382.
dc.identifier.issn00036951
dc.identifier.doi10.1063/1.4781382
dc.identifier.urihttp://hdl.handle.net/10754/314529
dc.description.abstractThe electronic and optical properties of mono, di, tri, and tetravacancies in graphene are studied in comparison to each other, using density functional theory. In addition, oxidized monovacancies are considered for different oxygen concentrations. Pristine graphene is found to be more absorptive than any defect configuration at low energy. We demonstrate characteristic differences in the optical spectra of the various defects for energies up to 3 eV. This makes it possible to quantify by optical spectroscopy the ratios of the defect species present in a sample.
dc.language.isoen
dc.publisherAIP Publishing
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/apl/102/2/10.1063/1.4781382
dc.relation.urlhttp://arxiv.org/abs/1311.2213
dc.rightsArchived with thanks to Applied Physics Letters
dc.titleA first-principles investigation of the optical spectra of oxidized graphene
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 Physics, Quaid-i-Azam University, Islamabad 45320, Pakistan
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)
dc.identifier.arxividarXiv:1311.2213
kaust.personSingh, Nirpendra
kaust.personKaloni, Thaneshwor P.
kaust.personSchwingenschlögl, Udo
refterms.dateFOA2018-06-14T04:00:27Z


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