European Physical Journal B, volume 89, issue 10, publication number 220
Molecular dynamics simulation of graphene on Cu (111) with different Lennard-Jones parameters
Publication type: Journal Article
Publication date: 2016-10-11
Journal:
European Physical Journal B
Quartile SCImago
Q3
Quartile WOS
Q4
Impact factor: 1.6
ISSN: 14346028, 14346036
Electronic, Optical and Magnetic Materials
Condensed Matter Physics
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.
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Sidorenkov A. V., Kolesnikov S. V., Saletsky A. M. Molecular dynamics simulation of graphene on Cu (111) with different Lennard-Jones parameters // European Physical Journal B. 2016. Vol. 89. No. 10. 220
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Sidorenkov A. V., Kolesnikov S. V., Saletsky A. M. Molecular dynamics simulation of graphene on Cu (111) with different Lennard-Jones parameters // European Physical Journal B. 2016. Vol. 89. No. 10. 220
Cite this
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TY - JOUR
DO - 10.1140/epjb/e2016-70278-0
UR - https://doi.org/10.1140/epjb/e2016-70278-0
TI - Molecular dynamics simulation of graphene on Cu (111) with different Lennard-Jones parameters
T2 - European Physical Journal B
AU - Sidorenkov, Alexander V
AU - Kolesnikov, Sergey V
AU - Saletsky, Alexander M.
PY - 2016
DA - 2016/10/11
PB - Springer Nature
IS - 10
VL - 89
SN - 1434-6028
SN - 1434-6036
ER -
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@article{2016_Sidorenkov,
author = {Alexander V Sidorenkov and Sergey V Kolesnikov and Alexander M. Saletsky},
title = {Molecular dynamics simulation of graphene on Cu (111) with different Lennard-Jones parameters},
journal = {European Physical Journal B},
year = {2016},
volume = {89},
publisher = {Springer Nature},
month = {oct},
url = {https://doi.org/10.1140/epjb/e2016-70278-0},
number = {10},
doi = {10.1140/epjb/e2016-70278-0}
}
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