Now showing items 1-3 of 3

    • Excited State Calculations of Cu-Doped Anatase TiO2 (101) and (001) Nanofilms 

      Lin, Yin-Pai; Neilande, Elina; Bandarenka, Hanna; Zavatski, Siarhei; Isakoviča, Inta; Piskunov, Sergei; Bocharov, Dmitri; Kotomin, Eugene A. (MDPI, 2024)
      Excited state calculations are performed to predict the electronic structure and optical absorption characteristics of Cu-doped anatase TiO2 nanofilms, focusing on their (101) and (001) surface terminations. Using model ...
    • Influence of Au, Ag, and Cu Adatoms on Optical Properties of TiO2 (110) Surface: Predictions from RT-TDDFT Calculations 

      Lin, Yin-Pai; Bocharov, Dmitry; Kotomin, Eugene; Brik, Mikhail G.; Piskunov, Sergei (MDPI, 2022)
      In this paper, real-time time-dependent density-functional theory (RT-TDDFT) calculations are performed to analyze the optical property and charge transitions of a single noble metal atom deposited on rutile TiO2 (110) ...
    • Optical Characteristics of MgAl2O4 Single Crystals Irradiated by 220 MeV Xe Ions 

      Akilbekov, Abdirash; Kiryakov, Arseny; Baubekova, Guldar; Aralbayeva, Gulnara; Dauletbekova, Alma; Akylbekova, Aiman; Ospanova, Zhulduz; Popov, Anatoli I. (MDPI, 2023)
      In In this study, the optical properties of magnesium-aluminate spinel were examined after being irradiated with 220 MeV Xe ions. The research aimed to simulate the impact of nuclear fuel fission fragments on the material. ...