▎ 摘　　要

NOVELTY - The method involves performing first-principles calculations of the binding energies of different edge structures of graphene and doping atoms, for the atoms that need to be doped. The edge doping points that are most likely to be doped with atoms find out, and find the relationship between the microstructure of the edge doping points and the mesoscopic geometric structure through molecular dynamics calculations. The two-dimensional geometric structure of the graphene metamaterial that is most likely finded to form a large number of edge doping points, and etch the graphene with this structure to generate the graphene metamaterial, by building a geometric optimization simulation model. The advantage of the characteristic took that the edges of graphene are more prone to reaction, the graphene metamaterial is directly processed by a gas or solution containing doped atoms to obtain an edge-modified graphene metamaterial. USE - Graphene metamaterial modification method based on edge topology optimization. Uses include but are not limited to material learning, micro-nano processing, energy, biomedicine and drug delivery. ADVANTAGE - The method is capable of effectively modifying the graphene metamaterial in a simple manner. DESCRIPTION OF DRAWING(S) - The drawing shows a schematic diagram illustrating the method for modifying graphene metamaterial based on edge topology optimization.