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Report No.
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Band gap narrowing of titanium dioxide by sulfur doping

Umebayashi, Tsutomu; Yamaki, Tetsuya; Ito, Hisayoshi; Asai, Keisuke*

Titanium dioxide (TiO$$_{2}$$) doped with sulfur (S) was synthesized by oxidation annealing of titanium disulfide (TiS$$_{2}$$). According to the X-ray diffraction patterns, TiS$$_{2}$$ turned into anatase TiO$$_{2}$$ when annealed at 600 $$^{circ}$$C. The residual S atoms occupied O-atom sites in TiO$$_{2}$$ to form Ti-S bonds. The S doping caused the absorption edge of TiO$$_{2}$$ to be shifted into the lower energy region. Based on the theoretical analyses using ab-initio band calculations, mixing of the S 3p states with the valence band was found to contribute to the band gap narrowing.

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Category:Physics, Applied

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