• 文献标题:   Effect of Au2Cl6 doping on stability and work function of graphene
  • 文献类型:   Article
  • 作  者:   XIE ZF, YAO R, ZHANG YH, ZHANG ZH, ZHANG Y, GAO W, DUAN L
  • 作者关键词:   graphene, au2cl6 molecule, work function, first principle
  • 出版物名称:   PHYSICA BCONDENSED MATTER
  • ISSN:   0921-4526 EI 1873-2135
  • 通讯作者地址:   Changan Univ
  • 被引频次:   2
  • DOI:   10.1016/j.physb.2018.12.008
  • 出版年:   2019

▎ 摘  要

The first-principles method based on the density functional theory are used to study the work function and stability of the bilayer graphene doped with the Au2Cl6. The results show that the Au2Cl6 interlayer doping, like the common surface doping method, significantly increases the work function of graphene and successfully obtains p-type graphene. In addition, p-type graphene obtained by interlayer doping has better stability than surface doping. Considering the poor stability is a major problem faced in the practical application of surface-doped p-type graphene, this study shows that the interlayer doping of Au2Cl6 is a promising preparation method for p-type graphene.