Structure of fluorographene and its polymorphous varieties

Abstract

X-ray powder diffraction analysis was used to study structure of fluorographene. In order to interpret experimental results, calculations of crystal structure and electronic properties of fluorographene polymorphs were performed by the method of density functional theory with generalized gradient approximation. Sublimation energies of polymorphic varieties of fluorographene layers differ insignificantly (range from 14.08 to 14.32 eV/CF). Electronic band gaps of fluorographene layers vary from 3.04 to 4.19 eV. It was established that the structure of experimentally synthesized fluorographene corresponds to first type of polymorphic structure.