▎ 摘　　要

Generally, the role of carbon defects in the corrosion of graphene is investigated by the experimental methods. Defects and cracks are considered to be the major cause of corrosion. Thus far, the intrinsic corrosion mechanism at the nanoscale is still not understood. In this work, using a first principles method, the energy barriers and average potentials of Cl anion diffusion cross the defective graphene are calculated in order to better understand the role of carbon defects in the corrosion of graphene at the nanoscale. The calculated results show that the reconstructed nanopores have a significant effect on retaining the anticorrosion of graphene.