Modifying atomic-scale friction between two graphene sheets: A molecular-force-field study

Recently discovered ultralow friction (superlubricity) between incommensurate graphitic layers has raised great interest in understanding the interlayer interaction between graphene sheets under various physical conditions. In this work, we have studied the effects of interlayer distance change and in-sheet defects in modifying the interlayer friction in graphene sheets by extensive molecular-force-field statics calculations. The interlayer friction between graphene sheets with commensurate or incommensurate interlayer stacking increases with decreasing interlayer distance, but in the case of incommensurate stacking, ultralow friction can exist in a significantly expanded range of interlayer distance. The ultralow interlayer friction in the incommensurate stacking sheets is insensitive to the in-sheet defect of vacancy at a certain orientation. These results provide knowledge for possibly controlling friction between graphene sheets and offer insight into their applications.