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• W2040567574 endingPage "085417" @default.
• W2040567574 startingPage "085417" @default.
• W2040567574 abstract "The supercells of pure anatase TiO2 and lanthanide-doped anatase TiO2 were calculated by density functional theory with the plane-wave ultrasoft pesudopotentials method. The effects of lanthanide doping on the crystal structure, electronic structure, optical properties and photocatalytic activity were investigated according to the calculation data. The results indicate that lanthanide doping could remarkably improve the photocatalytic activity of TiO2, and the effect of improvement was sensitive to the atomic electronic configuration and ionic radius. Most lanthanide-doped TiO2 simultaneously realized visible-light response and maintained strong redox potentials. The conclusions would have important significance for understanding and further developing TiO2 photocatalysts that are active under visible-light irradiation." @default.
• W2040567574 created "2016-06-24" @default.
• W2040567574 creator A5059995024 @default.
• W2040567574 creator A5074138677 @default.
• W2040567574 date "2008-03-20" @default.
• W2040567574 modified "2023-10-16" @default.
• W2040567574 title "Effects of lanthanide doping on electronic structures and optical properties of anatase TiO₂from density functional theory calculations" @default.
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• W2040567574 doi "https://doi.org/10.1088/0022-3727/41/8/085417" @default.
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