Citation: SU Ya-Ling, LI Yi, DU Ying-Xun, LEI Le-Cheng. Visible-Light-Driven Catalytic Properties and First-Principles Study of Fluorine-Doped TiO₂ Nanotubes[J]. Acta Physico-Chimica Sinica, ;2011, 27(04): 939-945. doi: 10.3866/PKU.WHXB20110401 shu

Visible-Light-Driven Catalytic Properties and First-Principles Study of Fluorine-Doped TiO₂ Nanotubes

SU Ya-Ling ^1,2, ,
LI Yi ³ ,
DU Ying-Xun ¹ ,
LEI Le-Cheng ^2,

1.
1. Nanjing Institute of Geography & Limnology, State Key Laboratory of Lake Science and Environment, Chinese Academy of Sciences, Nanjing 210008, P. R. China;
2. Department of Chemical and Biological Engineering, Zhejiang University, Hangzhou 310028, P. R. China;
3. State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering, College of Environmental Science and Engineering, Hohai University, Nanjing 210098, P. R. China

Received Date: 1 November 2010
Available Online: 24 February 2011
Fund Project: 河海大学水文水资源与水利工程科学国家重点实验室开放研究基金(2009490911)与国家自然科学青年基金(20906097)资助项目 (2009490911)与国家自然科学青年基金(20906097)

Improving the photocatalytic activity and the utilization of visible light of TiO₂ is the most important research topics in the photocatalytic field. To improve the photocatalytic activity of TiO₂, we used chemical vapor deposition (CVD) to dope TiO₂ nanotubes with fluorine. Scanning electron microscopy (SEM) images showed that the annealing temperature significantly affected the morphological integrity of TiO₂ nanotubes. Upon annealing at 550 and 700 °C, the structure of F-doped TiO₂ nanotubes suffered from an observable disintegration of morphological integrity. X-ray diffraction (XRD) results indicated that the F impurity retarded the anatase-rutile phase transition. Fluorine was successfully doped into TiO₂ by CVD, as indicated by the X-ray photoelectron spectroscopy (XPS) results. F-doped TiO₂ nanotubes showed higher photocatalytic activity. First-principles calculations suggested that the F 2p states were located in the lower-energy range of valence band (VB) and less mixed with O 2p states. It thus contributed little to the reduction of the optical band gap. This is consistent with the finding that the band gap of F-doped TiO₂ is very close to that of undoped TiO₂. Therefore, the higher catalytic activity of F-doped TiO₂ should be attributed to the creation of surface oxygen vacancies upon F-doping, which enhances surface acidity and increases the amount of Ti³⁺ ions.
- TiO₂ nanotubes,
- Fluorine-doping,
- Visible-light,
- Catalytic property,
- Electronic structure
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Visible-Light-Driven Catalytic Properties and First-Principles Study of Fluorine-Doped TiO₂ Nanotubes