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Information × Registration Number 0221U103051, 0118U001427 , R & D reports Title Modeling processes of physicochemical modification of oxide and carbon nanosystems of different sizes and dimensions under conditions of external factors influence popup.stage_title Head Lobanov Viktor V., Registration Date 13-02-2021 Organization Chuiko Institute of Surface Chemistry of NAS of Ukraine popup.description2  Theoretical modeling of the effect of impurity atoms of nonmetals (boron, carbon, nitrogen, sulfur) on the electronic structure and optical properties of titanium oxide showed that impurity atoms of sulfur and carbon in titanium dioxide, which are in different coordination states and different oxidation states, are found in different oxidation states. ranges. This fact makes it possible to determine the structure of the samples on the basis of experimental spectra. Changes in the coordination and oxidation states of impurity atoms lead to spectral shifts and splitting of peaks, which can reach 1.5 eV (XPS). The presence of non-metal impurities leads to a change (deepening in the case of sulfide or carbide) in the color of the samples, which appears in the corresponding UV spectra. Product Description popup.authors Gichan Olga I. Gavrylyuk Oleksandr O Grebenuk Anatolij H. Gromovyi Taras Yu. Demianenko Eugeniy M. Kanevskyi Vasyl I. Karpenko Oksana S. Korochkova Taisiya Ye. Kravchenko Andrii A. Mischanchuk Oleksandr V. Moshkivska Nadiya V. Rozenbaum Viktor M. Severinovskaya Olga V. Semchuk Oleksandr Yu. Terebinska Mariya I. Tkachuk Olha I. Filonenko Oksana V. Tsendra-Boese Oksana M. Shkilov Victor P. Shkoda Natalia G popup.nrat_date 2021-02-13 Close