Model of Interaction of Fullerene С60 with Epitaxial Graphene
- Autores: Rekhviashvili S.1, Bukhurova M.1
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Afiliações:
- Institute of Applied Mathematics and Automatization, Russian Academy of Sciences, Kabardino-Balkarian Scientific Center
- Edição: Volume 92, Nº 10 (2018)
- Páginas: 1935-1939
- Seção: 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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Resumo
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.
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Sobre autores
S. Rekhviashvili
Institute of Applied Mathematics and Automatization, Russian Academy of Sciences,Kabardino-Balkarian Scientific Center
Autor responsável pela correspondência
Email: rsergo@mail.ru
Rússia, Nalchik, 360000
M. Bukhurova
Institute of Applied Mathematics and Automatization, Russian Academy of Sciences,Kabardino-Balkarian Scientific Center
Autor responsável pela correspondência
Email: mareta.bukhurova@mail.ru
Rússia, Nalchik, 360000