Email this article Model of Interaction of Fullerene С60 with Epitaxial Graphene
- Authors: Rekhviashvili S.S.1, Bukhurova M.M.1
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Affiliations:
- Institute of Applied Mathematics and Automatization, Russian Academy of Sciences, Kabardino-Balkarian Scientific Center
- Issue: Vol 92, No 10 (2018)
- Pages: 1935-1939
- Section: Structure of Matter and Quantum Chemistry
- URL: https://journals.rcsi.science/0036-0244/article/view/170158
- DOI: https://doi.org/10.1134/S0036024418100266
- ID: 170158
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Abstract
Equations for the potential and force of interaction of fullerene C60 with epitaxial graphene adsorbed on a thick substrate were derived using the Lennard-Jones pair potential. The nature of this interaction is mainly determined by the fullerene–graphene system, while the substrate makes a critical contribution to the attraction force at long distances between fullerene and graphene. A numerical simulation of the incidence of the fullerene molecule on epitaxial graphene was performed. The molecule oscillates near the surface; the character of this motion depends on the initial conditions and interaction parameters. An equation for the specific adhesion energy of graphene was obtained.
About the authors
S. Sh. Rekhviashvili
Institute of Applied Mathematics and Automatization, Russian Academy of Sciences,Kabardino-Balkarian Scientific Center
Author for correspondence.
Email: rsergo@mail.ru
Russian Federation, Nalchik, 360000
M. M. Bukhurova
Institute of Applied Mathematics and Automatization, Russian Academy of Sciences,Kabardino-Balkarian Scientific Center
Author for correspondence.
Email: mareta.bukhurova@mail.ru
Russian Federation, Nalchik, 360000
