Browsing Raksti konferenču krājumā un tēzes (CFI) / Conference Papers and Abstracts by Author "Kotomin, Eugene A."

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    • Theoretical investigations of nitrogen doping on Co 3 O 4 for water dissociation catalytically activity 

      Kaptagay, G. A.; Mastrikov, Yuri A.; Kotomin, Eugene A.; Sandibaeva, S. A.; Kopenbaeva, A. S.; Baitasheva, G. O.; Baikadamova, L. S. (Institute of Physics Publishing, 2018)
      We report the results of theoretical investigations of nitrogen doping on Co 3 O 4 (100) bulk by means of the plane-wave periodic density functional theory (DFT) calculations combined with the Hubbard-U approach and ...

    • Transition levels of acceptor impurities in ZnO crystals by DFT-LCAO calculations 

      Usseinov, A. B.; Zhukovskii, Yu. F.; Kotomin, Eugene A.; Akilbekov, A. T.; Zdorovets, M. V.; Baubekova, G. M.; Karipbayev, Zh. T. (Institute of Physics Publishing, 2018)
      Large scale ab-initio calculations are carried out to study the charge state transition levels of nitrogen and phosphorus impurity defects in zinc oxide crystals using the DFT-LCAO approximation as implemented into the ...