Calculation of distribution of electron density on surface of thin films

Abstract

Systems of monolayer films of graphene, porthyrin, copper and zinc phthalocyanine are investigated. For all systems equilibrium geometries are found, all structures are flat, except for a chlorine-replaced copper phthalocyanine. DFT modeling of the structure of thin films is performed as substantially promotion in interpretation of the results received by means of a holographic microscope.