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• W2016176498 abstract "Abstract We investigate the electronic structures and optical properties of Cu-doped TiO 2− x using density functional theory (DFT) calculations. We find that Cu doping creates an empty impurity band lying above the valence band of TiO 2 , which bridges most of the gap between the valence band maximum and conduction band minimum in undoped TiO 2 . The results also show that oxygen vacancies produce a similar effect and that Cu-doping can increase the stability of oxygen vacancies. We propose that Cu-doped TiO 2− x improves light harvesting and could be a promising visible-light photocatalyst." @default.
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• W2016176498 date "2014-09-01" @default.
• W2016176498 modified "2023-10-17" @default.
• W2016176498 title "First-principles study of Cu-doping and oxygen vacancy effects on TiO2 for water splitting" @default.
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• W2016176498 doi "https://doi.org/10.1016/j.cplett.2014.08.003" @default.
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