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Band structure design of semiconductors for enhanced photocatalytic activity: The case of TiO2
Open accessAbstract
General strategies are proposed by passivated co-doping in present paper to improve the photocatalytic activity of semiconductors for degradation of environmental pollutants. The ideal band gap of semiconductors for enhancement of photocatalytic activity can be lowered to match with visible light absorption and the location of the Conduction Band (CB) should be raised to meet the reducing capacity. Then we apply the strategy to anatase TiO2. It is predicted that nonmetal–metal co-doping TiO2 can modify the catalyst band edges by raising the valence band (VB) edge significantly and making the CB edge increased 0.24 eV. Therefore, the band gap for co-doping system should be narrowed to about 2.72 eV. (N, Ta) is predicted to be the target donor–acceptor combination with the band gap of 2.71 eV, which red-shifts the TiO2 absorption edge to 457.6 nm in visible range. The band engineering principle will be fit to other wide-band-gap semiconductors for enhanced photocatalytic activity.
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Cites
Special points for Brillouin-zone integrations
Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO2 films
O'Regan, B., & Grätzel, M. (1991) · Nature · doi:10.1038/353737a0 · Cited by 28,599
Photocatalysis on TiO2 Surfaces: Principles, Mechanisms, and Selected Results
Linsebigler, A. L., Lu, G., & Yates, J. T. (1995) · Chemical Reviews · doi:10.1021/cr00035a013 · Cited by 11,575
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Kampouri, S., & Stylianou, K. C. (2019) · ACS Catalysis · doi:10.1021/acscatal.9b00332 · Cited by 298
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Marwat, M. A., Humayun, M., Afridi, M. W., Zhang, H., Abdul Karim, M. R., Ashtar, M., Usman, M., Waqar, S., Ullah, H., Wang, C., et al. (2021) · ACS Applied Energy Materials · doi:10.1021/acsaem.1c02548 · Cited by 191
Metadata
- Authors
- Yan, H., Wang, X., Yao, M., & Yao, X.
- Venue
- Progress in Natural Science: Materials International
- Publisher
- Elsevier BV
- Published
- 2013-08
- Volume
- 23
- Issue
- 4
- Pages
- 402-407
- ISSN
- 1002-0071 (ISSN-L)
- OpenAlex
- W1967918687
- Cited by
- 304
- References
- 3
- FWCI
- 2.16
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- Yan, H., Wang, X., Yao, M., & Yao, X. (2013). Band structure design of semiconductors for enhanced photocatalytic activity: The case of TiO2. Progress in Natural Science: Materials International. https://doi.org/10.1016/j.pnsc.2013.06.002
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