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• W2100519289 endingPage "179" @default.
• W2100519289 startingPage "175" @default.
• W2100519289 abstract "The electronic properties and photocatalytic activity of X (N, C)/transition metal (TM = Ta, Hf, Fe)-codoped anatase TiO2 have been investigated using density functional theory. It was found that only the (N, Ta)-codoping case narrows the band gap significantly by about 0.48 eV, driven by the continuum-like p–d hybridized states above the top of valence band and d states at the bottom of conduction band. The calculated energy results suggest that codoping of Ta with N can increase the N concentration in N-doped TiO2 based on energy results." @default.
• W2100519289 created "2016-06-24" @default.
• W2100519289 creator A5008829628 @default.
• W2100519289 creator A5091195485 @default.
• W2100519289 date "2009-08-01" @default.
• W2100519289 modified "2023-10-03" @default.
• W2100519289 title "Band gap engineering of (N,Ta)-codoped TiO2: A first-principles calculation" @default.
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• W2100519289 doi "https://doi.org/10.1016/j.cplett.2009.07.084" @default.
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