Molecular Crystals and Liquid Crystals, Vol.673, No.1, 125-136, 2018
Electronic and photonic properties of lateral heterostructures based on functionalized graphene depending on the degree of fluorination
.Within the framework of the methods of the electron density functional and the ab initio pseudopotential, the spatial distributions of the valence electron density, the distribution of electron states by energies in the valence and conduction bands, dielectric matrices and the macroscopic relative permeability of lateral heterostructures based on functionalized graphene as photonic crystals depending on the degree of fluorination were obtained.
Keywords:lateral heterostructure;functionalized graphene;the electron density functional;ab initio pseudopotential;absorption spectrum;fluorination