• 文献标题:   Ab initio investigation of physical properties of the graphene/As-F hetero-bilayer
  • 文献类型:   Article
  • 作  者:   LU Q, ZHANG LL, CUI WB, ZHANG SF, GONG WJ
  • 作者关键词:  
  • 出版物名称:   APPLIED SURFACE SCIENCE
  • ISSN:   0169-4332 EI 1873-5584
  • 通讯作者地址:  
  • 被引频次:   5
  • DOI:   10.1016/j.apsusc.2021.150339 EA JUN 2021
  • 出版年:   2021

▎ 摘  要

In this paper, the physical properties of the graphene/As-F hetero-bilayer are investigated using first-principle calculations on the basis of density functional theory. It is found that the Dirac-cone properties of both graphene and As-F nanosheets are well preserved in this system, and that the two Dirac cones are symmetric about the Fermi level and their positions can be effectively tuned by the strained biaxial stretching. These findings are useful for the design and fabrication of novel nano-electronic devices formed by graphene-based hetero-bilayers. Improved optical properties are also observed in this system, displaying its potential photocatalytic and photovoltaic applications.