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Band Gap Narrowing of Titanium Oxide Semiconductors by Noncompensated Anion-Cation Codoping for Enhanced Visible-Light Photoactivity
Abstract
"Noncompensated n-p codoping" is established as an enabling concept for enhancing the visible-light photoactivity of TiO2 by narrowing its band gap. The concept embodies two crucial ingredients: the electrostatic attraction within the n-p dopant pair enhances both the thermodynamic and kinetic solubilities, and the noncompensated nature ensures the creation of tunable intermediate bands that effectively narrow the band gap. The concept is demonstrated using first-principles calculations, and is validated by direct measurements of band gap narrowing using scanning tunneling spectroscopy, dramatically redshifted optical absorbance, and enhanced photoactivity manifested by efficient electron-hole separation in the visible-light region. This concept is broadly applicable to the synthesis of other advanced functional materials that demand optimal dopant control.
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Cites
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Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
From ultrasoft pseudopotentials to the projector augmented-wave method
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Electrochemical Photolysis of Water at a Semiconductor Electrode
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Environmental applications of semiconductor photocatalysis
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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
Surface Science Studies of the Photoactivation of TiO 2 New Photochemical Processes
Thompson, T. L., & Yates, J. T. (2006) · Chemical Reviews · doi:10.1021/cr050172k · Cited by 2,064
Cited by
Zhao, Y., Tang, M., & He, L. (2024) · Molecular Catalysis · doi:10.1016/j.mcat.2023.113785 · Cited by 23
Metadata
- Authors
- Zhu, W., Qiu, X., Iancu, V., Chen, X.-Q., Pan, H., Wang, W., Dimitrijevic, N. M., Rajh, T., Meyer, H. M., Paranthaman, M. P., Stocks, G. M., Weitering, H. H., Gu, B., Eres, G., & Zhang, Z.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2009-11-23
- Volume
- 103
- Issue
- 22
- Pages
- 226401-226401
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W1971237728
- Cited by
- 393
- References
- 6
- FWCI
- 11.38
- Type
- journal article
- Language
- en
- Open access
- closed
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- Zhu, W., Qiu, X., Iancu, V., Chen, X.-Q., Pan, H., Wang, W., Dimitrijevic, N. M., Rajh, T., Meyer, H. M., Paranthaman, M. P., Stocks, G. M., Weitering, H. H., Gu, B., Eres, G., & Zhang, Z. (2009). Band Gap Narrowing of Titanium Oxide Semiconductors by Noncompensated Anion-Cation Codoping for Enhanced Visible-Light Photoactivity. Physical Review Letters. https://doi.org/10.1103/physrevlett.103.226401
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