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Second-generation photocatalytic materials: anion-doped TiO2
Abstract
Previous experimental studies describe an efficient photoresponse in the visible-light region for anion-doped TiO 2 . Doping with carbon, nitrogen, as well as sulfur, yields promising second-generation photocatalysis with TiO 2 . We present a theoretical investigation of substitutional anion doping in TiO 2 and discuss doping effects on the electronic structure, and subsequently the photoactivity. The resulting bandgap narrowing predicted in this work is consistent with experimental observations. Furthermore, we discuss the effects of doping concentration on the localization properties of the valence band edge. Our systematic study of anion-doped TiO 2 implies that the carbon-doped TiO 2 is the most promising due to a significant overlap between the O 2p state and the carbon states near the valence band edge. Additionally, carbon dopants produce the largest valence band red shift of the three anion-doped TiO 2 studied.
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Citations
Cites
Photochemical Activity of Nitrogen-Doped Rutile TiO2(110) in Visible Light
Diwald, O., Thompson, T. L., Zubkov, T., Ed. G. Goralski, Walck, S. D., & Yates, J. T. (2004) · The Journal of Physical Chemistry B · doi:10.1021/jp031267y · Cited by 712
Cited by
Review of the anatase to rutile phase transformation
Hanaor, D. A. H., & Sorrell, C. C. (2011) · Journal of Materials Science · doi:10.1007/s10853-010-5113-0 · Cited by 3,394
Advanced Nanoarchitectures for Solar Photocatalytic Applications
Kubacka, A., Fernández-García, M., & Colón, G. (2012) · Chemical Reviews · doi:10.1021/cr100454n · Cited by 2,373
Structure, Synthesis, and Applications of TiO2 Nanobelts
Zhao, Z., Tian, J., Sang, Y., Cabot, A., & Liu, H. (2015) · Advanced Materials · doi:10.1002/adma.201405589 · Cited by 342
Liu, G., Wang, L., Sun, C., Yan, X., Wang, X., Chen, Z., Smith, S. C., Cheng, H.-M., & Lu, G. Q. (2009) · Chemistry of Materials · doi:10.1021/cm802986r · Cited by 295
Metadata
- Authors
- Wang, H., & Lewis, J. P.
- Venue
- Journal of Physics: Condensed Matter
- Publisher
- IOP Publishing
- Published
- 2005-12-14
- Volume
- 18
- Issue
- 2
- Pages
- 421-434
- ISSN
- 0953-8984 (ISSN-L)
- 1361-648X
- OpenAlex
- W2036572843
- Cited by
- 275
- References
- 1
- FWCI
- 9.64
- Type
- journal article
- Language
- en
- Open access
- closed
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- Wang, H., & Lewis, J. P. (2006). Second-generation photocatalytic materials: anion-doped TiO2. Journal of Physics: Condensed Matter. https://doi.org/10.1088/0953-8984/18/2/006
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