• 文献标题:   The effects of metal-cluster on electronic transport of graphene with vacancy studied by first-principles
  • 文献类型:   Article
  • 作  者:   ZHANG P, SONG Q, ZHUANG J, NING XJ
  • 作者关键词:   graphene, metal adsorption, conductance
  • 出版物名称:   SUPERLATTICES MICROSTRUCTURES
  • ISSN:   0749-6036
  • 通讯作者地址:   Fudan Univ
  • 被引频次:   0
  • DOI:   10.1016/j.spmi.2017.04.027
  • 出版年:   2017

▎ 摘  要

The configurations of Agn (n = 1-6) clusters adsorbed at the single and double vacancies of graphene were obtained by density functional theory, and the effect on the electronic transport was studied by non-equilibrium Green's function. It was shown that the conductance of graphene with the clusters adsorbed at the vacancies (concentration of 0.8 at%) increases monotonically with the adsorption energy, which oscillates as 'n' increasing from 1 to 6, and the conductance of the defective graphene can be improved by more than 20% (or 50%) if some of the clusters are adsorbed at the vacancies. (C) 2017 Elsevier Ltd. All rights reserved.