Browsing Zinātniskie raksti (CFI) / Scientific articles by Subject "Linear combination of atom-centered gaussian-type orbitals"
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First principles modeling of 3d-metal doped three-layer fluorite-structured TiO2 (4,4) nanotube to be used for photocatalytic hydrogen production
(Elsevier, 2017)We have estimated theoretically the photocatalytic suitability of thinnest single-wall fluorite-structured titania (4,4) nanotube (NT) possessing three layers each (O-Ti-O) and doped by Sc, V, Cr, Mn, Fe, Co, Ni, Cu and ...