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• W4224090864 endingPage "139636" @default.
• W4224090864 startingPage "139636" @default.
• W4224090864 abstract "Density functional theory (DFT) calculations have been performed to investigate the doping of Zr, Sn, Pb, Si and Pt atoms into an Ti-vacancy of TiO2. The results show that the band gap of TiO2 is changed from 2.081 eV to 2.044, 2.032, 1.811, 1.718 eV and 0.207 eV upon interaction with Zr, Sn, Pb, Si and Pt atom respectively. such as indirect–direct band gap transition, by the analysis of the optical properties, the absorption coefficient in 1.0 × 105 cm−1, demonstrates thin crystal structure can achieve strong absorption of light energy. Such a reasonable match satisfies the photoelectric conversion efficiency." @default.
• W4224090864 created "2022-04-19" @default.
• W4224090864 creator A5072768802 @default.
• W4224090864 creator A5083581319 @default.
• W4224090864 date "2022-07-01" @default.
• W4224090864 modified "2023-09-30" @default.
• W4224090864 title "Study on Zr, Sn, Pb, Si and Pt doped TiO2 photoanode for dye-sensitized solar cells: The first-principles calculations" @default.
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• W4224090864 doi "https://doi.org/10.1016/j.cplett.2022.139636" @default.
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