Graphene Absorbed On The Rough Surfaces: A Molecular Dynamics Study

Graphene, with unique structure and properties, has attracted considerable research interests in the area of physic, chemistry and materials science. Up to date, few studies have been carried out on the issue of the interactions between the graphene and the surfaces, specially the rough surface. In this thesis, we investigated the shape and atomic structures of graphene interacting with a rough surface by using molecular dynamics simulations. For surface with a valley, the graphene have two structures at OK, fully matching the shape of valley and forming a corrugation above the valley. The shape of graphene strongly affected by the depth and width of the valley. At finite temperature(300K),the graphene can be either absorbed into the valley or diffuse out of the valley. More important, at 300K, the graphene at some cases can be re-grown, the post-growth made the graphene have pentagon-heptagon pair at the eage of graphene,and forming complicated nanostructure.