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

Nirpendra Singh, Thaneshwor P. Kaloni, Udo Schwingenschlögl

Research output: Contribution to journalArticlepeer-review

31 Scopus citations


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.
Original languageEnglish (US)
Pages (from-to)023101
JournalApplied Physics Letters
Issue number2
StatePublished - Jan 14 2013

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)


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