Proceeding of EDISON Challenge (EDISON SW 활용 경진대회 논문집)
- 2013.04a
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- Pages.256-259
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- 2013
Binary Doping of N-B and N-P into Graphene: Structural and Electronic properties
- Kim, Hyo seok (Graduate School of EEWS, KAIST) ;
- Kim, Seong Sik (Graduate School of EEWS, KAIST)
- Published : 2013.04.17
Abstract
We investigate co-doping effects of conjugated P-N B-N with increasing of N concentration in the graphene sheets using a first principles based on the density functional theory. N doping sites of the graphene consider two possible sites (pyridinic and porphyrin-like). Energy calculation shows that additional doping of B atom in the porphyrin-like N doped graphene (
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