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https://doi.org/10.4028/www.scientific.net/amm.727-728.79
Copy DOIJournal: Applied Mechanics and Materials | Publication Date: Jan 1, 2015 |
Citations: 2 |
Structural, electronic and optical properties of S-doped anatase TiO2 have been investigated using the first-principles density-functional theory. The band structure and density of states show that the band gap of anatase TiO2 narrows due to the presence of the S-3p energy level in the top of the valence bands. Compared with the optical absorption edge of the undoped anatase TiO2, the optical absorption edge of S-doped anatase TiO2 shifts to a lower energy, which indicates that S-doped anatase TiO2 can be used for visible-light absorption applications.
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