Molecular dynamics simulation of cutting graphene with diamond probe

Graphene is considered to be the most promising two-dimensional nanomaterial with excellent physical chemical characteristics and wide application. However, the zero bonding gap limits the application in electronic fields. The precision cutting can open a proper bonding gap for graphene. The research presents a molecular dynamics simulation of cutting graphene. The micro-morphology of graphene by diamond probe cutting in different directions was analyzed. The effects of substrate or not and different cutting directions on edge energy and cutting force of graphene were studied. The simulation results show that there is anisotropy in the scratch edge of graphene. The cutting edge is rough without the features of armchair and zigzag.