Molecular dynamic simulations of the dynamics of the water adsorbed on the graphene surface

Abstract

As a hydrophobic material, graphene had long been thought to be impervious to the aggregation of water molecules. However, recent studies have shown that water molecules aggregate in layers on the surface of graphene due to van der Waals forces under atmospheric pressure. In this study, we analyzed the rotational motion of the water layers on the graphene interface using molecular dynamics simulations. The results indicate that the rotational motion is more random as it approaches from the graphene surface to the bulk region.