• 文献标题:   Molecular dynamics simulation of graphene on Cu (111) with different Lennard-Jones parameters
  • 文献类型:   Article
  • 作  者:   SIDORENKOV AV, KOLESNIKOVA SV, SALETSKY AM
  • 作者关键词:  
  • 出版物名称:   EUROPEAN PHYSICAL JOURNAL B
  • ISSN:   1434-6028 EI 1434-6036
  • 通讯作者地址:   Lomonosov Moscow State Univ
  • 被引频次:   5
  • DOI:   10.1140/epjb/e2016-70278-0
  • 出版年:   2016

▎ 摘  要

The interaction between graphene and copper (111) surface have been investigated using the molecular dynamics simulations. The range of Lennard-Jones parameters which correspond to the binding energies and the binding distances calculated via ab initio methods was found. The dependencies of the binding energy, the binding distance and the graphene thickness on the parameters of the potential and the rotational angle are presented. We have found minima of the binding energy which can be related to experimentally observed Moire superstructures.