TY - JOUR
T1 - A first-principles investigation of the optical spectra of oxidized graphene
AU - Singh, Nirpendra
AU - Kaloni, Thaneshwor P.
AU - Schwingenschlögl, Udo
N1 - KAUST Repository Item: Exported on 2020-10-01
PY - 2013/1/14
Y1 - 2013/1/14
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/314529
UR - http://scitation.aip.org/content/aip/journal/apl/102/2/10.1063/1.4781382
UR - http://www.scopus.com/inward/record.url?scp=84872699436&partnerID=8YFLogxK
U2 - 10.1063/1.4781382
DO - 10.1063/1.4781382
M3 - Article
SN - 0003-6951
VL - 102
SP - 023101
JO - Applied Physics Letters
JF - Applied Physics Letters
IS - 2
ER -