Simulation of Interaction between C60 Fullerene Molecule and Graphene

Abstract

This work describes equations for the potential and force of interaction between C60 fullerene molecules with an ideal infinite graphene sheet on the basis of the Lennard-Jones pair potential. The fall of a fullerene molecule on graphene has been numerically simulated. It is demonstrated that fullerene molecule near the graphene surface execute oscillating motion, with its pattern depending on the initial conditions and interaction parameters. The obtained results are of interest for investigation of the adsorption of fullerene molecules on graphene.