A first-principles investigation of the optical spectra of oxidized graphene
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Preprint Posting Date2013-11-09
Permanent link to this recordhttp://hdl.handle.net/10754/314529
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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.
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.
JournalApplied Physics Letters