Applied Surface Science, Vol.483, 742-749, 2019
Atomic-scale friction adjustment enabled by doping-induced modification in graphene nanosheet
As a typical atomically-thin solid lubricant, graphene is widely utilized and investigated. However, the existence of defects in engineering graphene seriously damages its lubricating property. In this work, we theoretically report a novel approach to repair defects hence improve frictional property enabled by doping-induced modification. Graphene nanosheet has been doped with nitrogen and boron. Adjustments of atomic-scale friction due to nitrogen and boron doping in graphene nanosheet have been explored by density functional theory (DFT). Compared to boron-doped graphene, nitrogen-doped graphene exhibits low friction and its tribological properties improve with the doping concentration of nitrogen, which are attributed to the low interlayer interaction induced by the repulsive electrostatic forces between interlayers. We also elucidate that van der Waals and electrostatic interactions exhibit peculiar distributional proportion on the frictional properties for different doping species. Furthermore, through observing the charge transfer of different doping systems, the intrinsic characterization of charge introduction is thoroughly explored, which is the primary cause that affect the atomic-scale friction. The investigation provides a general strategy for modifying the lubricating property of graphene.