• 文献标题:   Bismuth doping of graphene
  • 文献类型:   Article
  • 作  者:   AKTURK OU, TOMAK M
  • 作者关键词:   adsorption, bismuth, density functional theory, doping profile, electronic structure, elemental semiconductor, gradient method, graphene, semiconductor doping
  • 出版物名称:   APPLIED PHYSICS LETTERS
  • ISSN:   0003-6951
  • 通讯作者地址:   Middle E Tech Univ
  • 被引频次:   23
  • DOI:   10.1063/1.3334723
  • 出版年:   2010

▎ 摘  要

In this work, we have studied bismuth as a dopant in graphene using density functional theory (DFT). We find that bismuth is weakly physisorbed within DFT. On the other hand, we show that bismuth n-dopes graphene when it is substitutional. We observe that local density approximation results give higher substitutional energy than that of generalized gradient approximation. The electronic structure of graphene is changed when Bi is substitutional.