Browsing Zinātniskie raksti (CFI) / Scientific articles by Author "Začinskis, Aleksandrs"
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Time-Dependent Density Functional Theory Calculations of N- and S-Doped TiO2 Nanotube for Water-Splitting Applications
LIN, YIN-PAI; Isakoviča, Inta; Gopejenko, Aleksejs; Ivanova, Anna; Začinskis, Aleksandrs; Eglitis, Roberts; D’Yachkov, Pavel N.; Piskunov, Sergei (Multidisciplinary Digital Publishing Institute (MDPI), 2021)On the basis of time-dependent density functional theory (TD-DFT) we performed first-principle calculations to predict optical properties and transition states of pristine, N-and S-doped, and N+S-codoped anatase TiO2 ...