Band gap narrowing of titanium dioxide by sulfur doping

✍ Scribed by Umebayashi, T.; Yamaki, T.; Itoh, H.; Asai, K.

• Book ID: 111898169
• Publisher: American Institute of Physics
• Year: 2002
• Tongue: English
• Weight: 404 KB
• Volume: 81
• Category: Article
• ISSN: 0003-6951
• DOI: 10.1063/1.1493647

✦ Synopsis

Titanium dioxide (TiO2) doped with sulfur (S) was synthesized by oxidation annealing of titanium disulfide (TiS2). According to the x-ray diffraction patterns, TiS2 turned into anatase TiO2 when annealed at 600 °C. The residual S atoms occupied O-atom sites in TiO2 to form Ti–S bonds. The S doping caused the absorption edge of TiO2 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.