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• W1552593263 abstract "Co-doping of TiO2 with Cr and Sb was recently found to have a beneficial effect on the photocatalytic activity under visible-light irradiation. With the present comparative standard and hybrid density functional study we get new insight into the electronic structure of the system and provide a theoretical support to the experimental findings. Hybrid DFT better describes (i) the Cr d states splitting and thus the semiconducting properties of the Cr-doped system, and (ii) the localized nature of the Ti3+ states produced by Sb doping. An electron transfer from the Sb-induced states to the Cr 3d levels is considered to be the reason for the enhanced photostability of the co-doped Cr/Sb system." @default.
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• W1552593263 date "2009-02-01" @default.
• W1552593263 modified "2023-10-18" @default.
• W1552593263 title "Cr/Sb co-doped TiO2 from first principles calculations" @default.
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• W1552593263 doi "https://doi.org/10.1016/j.cplett.2008.12.086" @default.
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