• 文献标题:   Density functional calculations of Lithium-doped few-layer ABA-stacked graphene supported on Pt and Si-terminated SiC surfaces
  • 文献类型:   Article
  • 作  者:   LU D, XIAO Y, YAN XH, YANG YR
  • 作者关键词:  
  • 出版物名称:   CHEMICAL PHYSICS LETTERS
  • ISSN:   0009-2614 EI 1873-4448
  • 通讯作者地址:   Nanjing Univ Aeronaut Astronaut
  • 被引频次:   4
  • DOI:   10.1016/j.cplett.2011.09.032
  • 出版年:   2011

▎ 摘  要

Using density functional theory, we investigate the charge distribution in c direction in few-layer ABA-stacked graphene with both sides or only one side doped. It is found that, as the graphene is doped with a donor on each side, the charge transfer will take place between the dopant and its nearest carbon layer. However, in the dual-sided doping with a donor and an acceptor on each side, the carbon layer adjacent to the acceptor tends to be charge neutral. Such behavior can be explained by a multi-layer capacitor model, which shows electrostatic effect plays a crucial role in determining charge distribution. (C) 2011 Elsevier B.V. All rights reserved.