• 文献标题:   Twist-Dependent Electron Charge Transfer and Transport in Phosphorene-Graphene Heterobilayers
  • 文献类型:   Article
  • 作  者:   HAIDAR E, TAWFIK SA, STAMPFL C
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447 EI 1932-7455
  • 通讯作者地址:  
  • 被引频次:   1
  • DOI:   10.1021/acs.jpcc.1c08282 EA NOV 2021
  • 出版年:   2021

▎ 摘  要

In this work, we explore the impact of twisting (rotational stacking) on the vertical charge transfer in a graphene-phosphorene bilayer using density functional theory (DFT) and on electron transport in the plane of the bilayer using DFT and the non-equilibrium Green's function approach. We examine the bilayers with twist angles 0, 9.1, 13.3, and 44.1 degrees and find a significant drop in charge transfer when the twist angle changes from 0 to >0 degrees. We also identify an anisotropy of the current with regard to the twist angle, as well as direction, in the plane of the bilayer structures. Such interesting features could have an impact on enhancing the applications of two-dimensional twisted structures in nano-electronics.