• 文献标题:   Graphene on Cu(111) at the nonzero temperatures: Molecular dynamic simulation
  • 文献类型:   Article
  • 作  者:   SIDORENKOV AV, KOLESNIKOV SV, SALETSKY AM
  • 作者关键词:   graphene, classical molecular dynamic
  • 出版物名称:   MODERN PHYSICS LETTERS B
  • ISSN:   0217-9849 EI 1793-6640
  • 通讯作者地址:   Lomonosov Moscow State Univ
  • 被引频次:   0
  • DOI:   10.1142/S021798491750289X
  • 出版年:   2017

▎ 摘  要

We present results of molecular dynamic simulation of continuous graphene monolayer on Cu(111). In this paper, we investigate the dependencies of the average binding energy and the average binding distance on the temperature. The interaction between carbon and copper atoms was described by Lennard-Jones potential. It is shown that the binding energy practically remains constant in a wide range of temperatures 0-800 K. However, in the same temperature range, the binding distance of graphene on Cu(111) surface has a linear dependence on temperature. The dependence of the linear thermal expansion coefficient of the binding distance on Lennard-Jones parameters has been calculated. We suggest a simple theoretical model to explain this dependence qualitatively.