Simulated Nanoscale Peeling Process of Monolayer Graphene Sheet: Effect of Edge Structure and Lifting Position

摘要

The nanoscale peeling of the graphene sheet on the graphite surface is numerically studied by molecular mechanics simulation. For center-lifting case, the successive partial peelings of the graphene around the lifting center appear as discrete jumps in the force curve, which induce the arched deformation of the graphene sheet. For edge-lifting case, marked atomic-scale friction of the graphene sheet during the nanoscale peeling process is found. During the surface contact, the graphene sheet takes the atomic-scale sliding motion. The period of the peeling force curve during the surface contact decreases to the lattice period of the graphite. During the line contact, the graphene sheet also takes the stick-slip sliding motion. These findings indicate the possibility of not only the direct observation of the atomic-scale friction of the graphene sheet at the tip/surface interface but also the identification of the lattice orientation and the edge structure of the graphene sheet.