Graphene metamaterial modification method based on edge topological optimization

Abstract

The invention discloses a graphene metamaterial modification method based on edge topological optimization, which comprises the following steps: firstly, aiming at atoms needing to be doped, carrying out first principle calculation on binding energy of different edge structures of graphene and doped atoms, and finding out edge doping points which are most easily doped by the atoms; finding the relationship between the microstructure of the edge doping point and the mesoscopic geometric structure through molecular dynamics calculation; then, by building a geometric optimization simulation model, finding a graphene metamaterial two-dimensional geometric structure which is most likely to form a large number of edge doping points, and etching the graphene by using the structure to generate a graphene metamaterial; and finally, by utilizing the characteristic that the edge of the graphene is relatively easy to react, directly processing the graphene metamaterial through gas or solution containing doped atoms to obtain the edge-modified graphene metamaterial.

Description

technical field [0001] The invention belongs to the technical field of new materials, and relates to a modification technology of graphene materials, in particular to a graphene metamaterial modification method based on edge topology optimization. Background technique [0002] Metamaterials refer to a class of man-made materials with special properties that are not found in nature. They possess special properties, such as allowing light and electromagnetic waves to change their usual properties, and such effects cannot be achieved with conventional materials. There is nothing special about the composition of metamaterials, their peculiar properties stem from their precise geometry and size. The microstructure in it is smaller in size than the wavelength at which it acts, so it can influence the wave. [0003] Graphene is a sp 2 A new material in which hybrid-connected carbon atoms are tightly packed into a monolayer two-dimensional honeycomb lattice structure. Graphene h...

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Problems solved by technology

[0009] The purpose of the present invention is to solve the problems of high cost and insufficient flexibility of existing graphene metamaterial modification methods, and to provide a more convenient, reliable and flexible graphene metamaterial modification method, that is, to provide a method based on edge topology Optimized graphene metamaterial modification technology increases the flexibility of modification while reducing the cost of graphene metamaterial modification

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