• 文献标题:   Electrical control of the chemical bonding of fluorine on graphene
  • 文献类型:   Article
  • 作  者:   SOFO JO, SUAREZ AM, USAJ G, CORNAGLIA PS, HERNANDEZNIEVES AD, BALSEIRO CA
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Penn State Univ
  • 被引频次:   64
  • DOI:   10.1103/PhysRevB.83.081411
  • 出版年:   2011

▎ 摘  要

We study the electronic structure of diluted F atoms chemisorbed on graphene using density functional theory calculations. We show that the nature of the chemical bonding of a F atom adsorbed on top of a C atom in graphene strongly depends on carrier doping. In neutral samples the F impurities induce a sp(3)-like bonding of the C atom below, generating a local distortion of the hexagonal lattice. As the graphene is electron-doped, the C atom retracts back to the graphene plane and for high doping (10(14) cm(-2)) its electronic structure corresponds to a nearly pure sp(2) configuration. We interpret this sp(3)-sp(2) doping-induced crossover in terms of a simple tight-binding model and discuss the physical consequences of this change.