Energy spectrum of electrons of ferric oxide surface phase interacting with fluorocarbon polymer macromolecules under the influence of CO2-laser radiation
Автор: Litinski A.O., Novikov S.I., Petrov M.V.
Журнал: Математическая физика и компьютерное моделирование @mpcm-jvolsu
Рубрика: Химическая физика
Статья в выпуске: 11, 2007 года.
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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.
Короткий адрес: https://sciup.org/14968603
IDR: 14968603