▎ 摘　　要

In the present simulation study, the structure and dynamics of graphene-fullerene nanocomposite has been investigated using all atom molecular dynamics simulation technique. The formation of graphene-fullerene nanocomposite constituting graphene and self-assembly of 12 bucky balls has been demonstrated. The structure, size, interparticle separation, spatial distribution, temperature effect, mobility and conformation of graphene-fullerene nanocomposite, and the influence of single and two layers of graphene on the structure of graphene-fullerene nanocomposite have been determined and discussed in detail. This simulation result may possibly aid the design and development of graphene-fullerene hybrid nanomaterials for future biological and technological applications.