• 文献标题:   Strain-induced charge transfer and polarity control of a heterosheet comprising C-60 and graphene
  • 文献类型:   Article
  • 作  者:   SAUCIER YA, OKADA S, MARUYAMA M
  • 作者关键词:  
  • 出版物名称:   APPLIED PHYSICS EXPRESS
  • ISSN:   1882-0778 EI 1882-0786
  • 通讯作者地址:   Univ Tsukuba
  • 被引频次:   4
  • DOI:   10.7567/APEX.10.095101
  • 出版年:   2017

▎ 摘  要

Using density functional theory combined with the effective screening medium method, the energetics and electronic structure of a C-60 molecular sheet adsorbed on graphene were studied in terms of biaxial strains. The optimum spacing and interlayer interaction monotonically decreases and increases, respectively, with an increasing biaxial tensile strain. The biaxial compressive strain induces electron transfer from the graphene to C-60 at a 2% lateral compression, leading to an all-carbon charge transfer complex. The heterosheet possesses an intrinsic dipole moment along the graphene-to-C-60 molecular layer direction. (C) 2017 The Japan Society of Applied Physics.