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- Title
Influence of impurity defects on vibrational and electronic structure of graphene.
- Authors
Sagalianov, I.Y.; Prylutskyy, Y.I.; Tatarenko, V.A.; Radchenko, T.M.; Sudakov, O.O.; Ritter, U.; Scharff, P.; Le Normand, F.
- Abstract
Using the ab initio methods, boron or nitrogen doping effects on the characteristics of electron and vibrational spectrums of graphene are studied. We revealed that a mutual arrangement at the largest distance from each other is energy-preferred for these dopant atoms. Depending on their kind, one can regulate conductance and raise values of fundamental frequencies of the Raman scattering in graphene.
- Subjects
ELECTRIC properties of graphene; ELECTRONIC structure; RAMAN spectroscopy; AB initio quantum chemistry methods; VIBRATIONAL spectra; DOPING agents (Chemistry)
- Publication
Materialwissenschaft und Werkstoffechnik, 2013, Vol 44, Issue 2/3, p183
- ISSN
0933-5137
- Publication type
Article
- DOI
10.1002/mawe.201300086