Model of Interaction of Fullerene С60 with Epitaxial Graphene

详细

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.