Exploring the stability and electronic structure of beryllium and sulphur co-doped graphene: a first principles study

First principles density functional theory (DFT) calculations have been performed to explore the stability, structural and electronic properties of Be and S co-doped graphene sheets. The band-gap of graphene has been tuned by co-doping with beryllium and sulphur at different sites. The results show...

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Veröffentlicht in:	RSC advances 2016-01, Vol.6 (91), p.88392-8842
Hauptverfasser:	Olaniyan, O, Mapasha, R. E, Momodu, D. Y, Madito, M. J, Kahleed, A. A, Ugbo, F. U, Bello, A, Barzegar, F, Oyedotun, K, Manyala, N
Format:	Artikel
Sprache:	eng
Schlagworte:	Beryllium Carbon Doping Energy gaps (solid state) Graphene Isomers Stability Sulfur
Online-Zugang:	Volltext
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