Abstract 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.

中文翻译：

---

考虑缺陷的石墨烯和H-BN异质结构薄膜的摩擦特性

摘要 石墨烯和h-BN构成的异质结构薄膜具有良好的长期腐蚀保护和优异的润滑性。对于异质结构薄膜，首先通过分子动力学模拟研究润滑性能对其结构的依赖性，并确定具有最小摩擦系数的最佳结构。基于这种结构，研究了各种点缺陷对薄膜润滑和磨损性能的影响。结果表明，分布在薄膜最顶层的Stone-Wales缺陷对润滑的影响最为明显，单个空位缺陷对薄膜的粘着磨损有显着的促进作用。