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Effects of substrate and tip characteristics on the surface friction of fluorinated graphene

机译：基材和尖端特性对氟化石墨烯表面摩擦的影响

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Maintaining the superior lubricating properties of graphene under chemical modification requires a deep understanding of the origin of its friction enhancement. In this study, the DFT calculations were performed to investigate the effects of substrate and tip characteristics on the frictional properties of fluorinated graphene (FGr) on Cu(111) and Pt(111) substrates. The calculation results indicate that the fluorination will increase the geometrical corrugation of graphene and a stronger reactivity between graphene and substrate could confine the geometrical corrugation. The indentation calculations of an Ar atom on the FGr on Cu(111) and Pt(111) illustrate that geometrical corrugation contributes dominantly to the sliding potential energy corrugation. With respect to a reactive 10-atom Ir tip sliding on the FGr on Pt(111), the F atom transfers from graphene to the tip and the friction evolves into a fluorinated Ir tip sliding on the FGr. As a result, the work against the normal load to lift the tip over the geometrical corrugation starts to play a crucial role in contributing to the surface friction. Thus, reducing the geometrical corrugation of graphene after fluorination through a stronger reactive substrate provides a feasible avenue to preserve the lubricating properties of graphene.
机译：下维持在化学改性石墨烯的优良的润滑性能，要求其增强摩擦的起源的深刻理解。在这项研究中，进行了DFT计算来研究的底物和尖端特性上氟化石墨烯（FGR）对Cu（111）和Pt（111）衬底上的摩擦性能的影响。计算结果表明，氟化将增加石墨烯的几何波纹和石墨烯和基板之间的反应性更强的限制可能的几何波纹。在Cu（111）和Pt（111）在FGR的Ar原子的缩进计算示出了几何波纹有助于显性到滑动势能波纹。相对于反应性10-原子的Ir尖端在Pt（111）上滑动FGR，由石墨烯的F原子转移到尖端和摩擦演变成氟化的铱尖端上滑动FGR。因此，对正常负荷下工作，解除了几何波纹尖端开始在促进表面摩擦中发挥了至关重要的作用。因此，通过较强的反应基质减少氟化石墨烯之后的几何波纹提供了一种可行的途径来保护石墨烯的润滑性能。

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