A first-principles investigation of the optical spectra of oxidized graphene

Handle URI:
http://hdl.handle.net/10754/314529
Title:
A first-principles investigation of the optical spectra of oxidized graphene
Authors:
Singh, Nirpendra ( 0000-0001-8043-0403 ) ; Kaloni, Thaneshwor P.; Schwingenschlögl, Udo ( 0000-0003-4179-7231 )
Abstract:
The 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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)
Citation:
Singh 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.
Publisher:
American Institute of Physics
Journal:
Applied Physics Letters
Issue Date:
14-Jan-2013
DOI:
10.1063/1.4781382
Type:
Article
ISSN:
00036951
Additional Links:
http://scitation.aip.org/content/aip/journal/apl/102/2/10.1063/1.4781382; http://arxiv.org/abs/1311.2213
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Computational Physics and Materials Science (CPMS)

Full metadata record

DC FieldValue Language
dc.contributor.authorSingh, Nirpendraen
dc.contributor.authorKaloni, Thaneshwor P.en
dc.contributor.authorSchwingenschlögl, Udoen
dc.date.accessioned2014-03-23T08:28:23Z-
dc.date.available2014-03-23T08:28:23Z-
dc.date.issued2013-01-14en
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.en
dc.identifier.issn00036951en
dc.identifier.doi10.1063/1.4781382en
dc.identifier.urihttp://hdl.handle.net/10754/314529en
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.en
dc.language.isoenen
dc.publisherAmerican Institute of Physicsen
dc.relation.urlhttp://scitation.aip.org/content/aip/journal/apl/102/2/10.1063/1.4781382en
dc.relation.urlhttp://arxiv.org/abs/1311.2213en
dc.rightsArchived with thanks to Applied Physics Lettersen
dc.titleA first-principles investigation of the optical spectra of oxidized grapheneen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentComputational Physics and Materials Science (CPMS)en
dc.identifier.journalApplied Physics Lettersen
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionDepartment of Physics, Quaid-i-Azam University, Islamabad 45320, Pakistanen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
dc.identifier.arxividarXiv:1311.2213en
kaust.authorSingh, Nirpendraen
kaust.authorKaloni, Thaneshwor P.en
kaust.authorSchwingenschlögl, Udoen
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