Calculation of the ionization potential of zinc and graphene phthalocyaninates on the surface of dielectrics

A mathematical model is proposed for calculating the ionization potentials of molecules on surface dielectrics in order to quantify changes electronic characteristics materials a substrate. The semiconductor and photoelectronic properties nanosystems based phthalocyanine derivatives are determined by structure molecules. Based zinc phthalocyaninate molecule ZnC32N8H16, structures constructed that increase this attaching benzene rings ZnC48N8H24, ZnC64N8H32 simulating film Zn4C120N32 H48. Graphene was considered as nanostructure modeling fragment monomer lm. these compounds magnesium oxide, sodium chloride silicon calculated. In presence substrate, all nanostructures decrease, while values remain fundamentally dierent their magnitude compounds. compound sprayed onto exhibits best properties, its potential comparable graphene.