Abstract This paper aims to investigate the mechanical and adhesive properties of diamond-like carbon films substrate covered by hydrogenated graphene (HG) using molecular dynamics simulations. For the mechanical properties, compared with the bare substrate, the HG-covered substrate shows a remarkable reduction on the out-of-plane stiffness, but shows an improvement on the maximum indentation force. For the adhesive properties, the suppression of covalent bond at the contact interface reduces the interfacial adhesion. These properties of the HG-covered substrate are strongly dependent on the hydrogenation degree of HG and its number of layer due to the sp2-sp3 hybridization of carbon atoms and relative motion between the graphene layers. This finding provides a route for designing the novel solid lubricants with excellent wear-resistance performance.

中文翻译：

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氢化石墨烯对类金刚石碳膜机械和粘合性能的增强

摘要 本文旨在利用分子动力学模拟研究氢化石墨烯（HG）覆盖的类金刚石碳膜基材的力学和粘合性能。对于机械性能，与裸基板相比，HG 覆盖的基板显示出平面外刚度显着降低，但显示出最大压痕力的提高。对于粘合性能，接触界面处共价键的抑制降低了界面粘合力。由于碳原子的 sp2-sp3 杂化和石墨烯层之间的相对运动，HG 覆盖的基材的这些性质强烈依赖于 HG 的氢化程度及其层数。