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

Alexander V. Sidorenkov, Sergey V. Kolesnikov () and Alexander M. Saletsky
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Alexander V. Sidorenkov: Faculty of Physics, Lomonosov Moscow State University
Sergey V. Kolesnikov: Faculty of Physics, Lomonosov Moscow State University
Alexander M. Saletsky: Faculty of Physics, Lomonosov Moscow State University

The European Physical Journal B: Condensed Matter and Complex Systems, 2016, vol. 89, issue 10, 1-7

Abstract: Abstract 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.

Keywords: Solid; State; and; Materials (search for similar items in EconPapers)
Date: 2016
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DOI: 10.1140/epjb/e2016-70278-0

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