Abstract
This paper is devoted to the in silico study of the electronic properties and electrical conductivity of hydrogenated graphene nanomesh (GNM). It is found that the conductivity of GNM can be controlled by varying the type of hydrogenation. Due to the hydrogenation of the nanohole edges by one or two hydrogen atoms, the energy gap can be changed, the anisotropy of the electrical conductivity can be enhanced, and the electron work function can be controlled. By varying the type of hydrogenation, it is possible to form conductive and insulating paths on 2D GNM. Thus, a certain combination of the sp2- and sp3-topologies of the GNM edge atoms allows one to fully “turn off” the electronic conductivity in all directions or, conversely, “turn on” the desired direction for current transfer.
Funder
Council on grants of the President of the Russian Federation