Statistical Law of High-Energy Fullerene and Its Derivatives Passing Through Graphene

摘要

The behavior of graphene bombarded by fullerene (C60 and C70) and its derivatives through using non equilibrium molecular dynamics method are studied. The microscopic mechanism of passing through graphene is obviously related to the initial structure of destroying carbon-carbon bonds and the strong interaction between the circular region of graphene and the cluster. The probability of passing through graphene depends on the incident velocity of clusters, the species of clusters, the temperature of heat baths, and the defect of graphene. Our results can provide a perspective for further understanding the mechanism of generating nanopores in graphene. The clusters used here may also bring about some potential utilities in the functionalization of graphene and the production of nanopores.