• 文献标题:   Angle dependence of the local electronic properties of the graphene/MoS2 interface determined by ab initio calculations
  • 文献类型:   Article
  • 作  者:   DI FELICE D, ABAD E, GONZALEZ C, SMOGUNOV A, DAPPE YJ
  • 作者关键词:   graphene/ mos2, dft, stm, vdw heterostructure, electronic structure
  • 出版物名称:   JOURNAL OF PHYSICS DAPPLIED PHYSICS
  • ISSN:   0022-3727 EI 1361-6463
  • 通讯作者地址:   Univ Paris Saclay
  • 被引频次:   11
  • DOI:   10.1088/1361-6463/aa64fe
  • 出版年:   2017

▎ 摘  要

We present a full theoretical study of the graphene/MoS2 interface, using density functional theory (DFT) calculations and scanning tunneling microscopy (STM) simulations. In particular, we show that contrary to previous theoretical predictions, the rotation angle between the layers has no influence on the global electronic properties of the interface, providing a careful choice of lattice vectors and supercells is made, in order to avoid artificial modifications in the electronic structure. However, small modifications of the local electronic properties do appear, as revealed by the calculated STM images. This result might be exploited in nanoelectronic devices by specific local contacting.