Энергетический спектр электронов поверхностной фазы оксида железа, взаимодействующей с макромолекулами фторполимеров при действии С02-лазерного излучения

Within the framework of density functional theory method of the type B3LYP/LanL2DZ and the cluster models of interacting centers peculiarities of the electronic-energy characteristics and one-electronic states spectra of the surface phase of ferric oxide and different chemisorptive contacts with radical of fluorocarbon polymer macromolecules were studied and discussed. The processing of the interacting subsystems by laser CO2-radiation with frequency similar to frequencies of stretching vibrations of the breaking bonds during the formation of surface structures promoted this process.