Molecular dynamics simulation of graphene on Cu (111) with different Lennard-Jones parameters

被引：0
|
作者：
Alexander V. Sidorenkov
Sergey V. Kolesnikov
Alexander M. Saletsky
机构：
[1] Faculty of Physics,
[2] Lomonosov Moscow State University,undefined
来源：
The European Physical Journal B | 2016年 / 89卷
关键词：
Solid State and Materials;
D O I：
暂无
中图分类号：
学科分类号：
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 Moiré superstructures.
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