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

Author

Listed:
  • 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)

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.

Suggested Citation

  • Alexander V. Sidorenkov & Sergey V. Kolesnikov & Alexander M. Saletsky, 2016. "Molecular dynamics simulation of graphene on Cu (111) with different Lennard-Jones parameters," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 89(10), pages 1-7, October.
    • Handle: RePEc:spr:eurphb:v:89:y:2016:i:10:d:10.1140_epjb_e2016-70278-0
    DOI: 10.1140/epjb/e2016-70278-0
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    Keywords

    Solid State and Materials;

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