▎ 摘　　要

The heterostructure film composed of graphene and h-BN has good long-term corrosion protection and excellent lubricity. For the heterostructure film, the dependence of lubrication performance on its structure is first investigated by molecular dynamics simulations, and an optimum structure with the minimum friction coefficient is determined. Based on this structure, the effect of various point defects on lubrication and wear properties of the film are investigated. Results show the Stone-Wales defect distributed on the top-most layer of the film has the most obvious effect on the lubrication, and the single vacancy defect plays a significant role in promoting the adhesive wear of the film. This study provides an atomic-level understanding of the frictional characteristics of heterostructure film composed of graphene and h-BN with the consideration of defects.