Journal
CARBON
Volume 47, Issue 10, Pages 2448-2455Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.carbon.2009.04.043
Keywords
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Funding
- Marie-Curie European Reintegration [MERG-CT-2007-201227]
- FRS-FNRS
- European Commission [NMP4-CT-2006-03350]
- NATO Collaborative Linkage [CBP.EAP.CLG.982722]
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The Raman spectra of graphene with three different types of point defects, namely, a mono-vacancy, a di-vacancy, and a Stone-Wales defect, was calculated within a non-orthogonal tight-binding model using supercells of graphene with a single defect. The defects were found to modify the electronic structure and the phonons of graphene giving rise to new optical transitions and defect-related phonons. Based on the calculated Raman spectra, we determined the Raman lines that can serve as signatures of the specific defects. The comparison of the calculated Raman intensity of the graphitic (G-) band of perfect graphene and graphene with defects shows that the intensity can be enhanced up to one order of magnitude by the presence of defects. (C) 2009 Elsevier Ltd. All rights reserved.
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