Proceeding of EDISON Challenge (EDISON SW 활용 경진대회 논문집)

Korea Institute of Science and Technology Information (한국과학기술정보연구원)
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Electronic structure of B- or N-doped graphene

  • Kim, Jae-Hee (Department of Physics and Graphene Reasearch Institute (GRI), Sejong University) ;
  • Min, Kyung-Ah (Department of Physics and Graphene Reasearch Institute (GRI), Sejong University)
  • Published : 2014.03.21
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Abstract

In this study, we investigate atomic and electronic structure of graphene with substitutional impurities such as boron or nitrogen atom using density functional theory (DFT) calculations. To investigate the effects of substitutional impurities in graphene, we consider a ($6{\times}6$) supercell of graphene in our calculations. For detailed electronic properties of graphene, we compare the energy band structure of B- or N-doped graphene with that of pristine graphene.

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