| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5385002 | Chemical Physics Letters | 2010 | 7 Pages |
Abstract
⺠F-doping leads to the formation of reduced Ti3+ ions, and Ti orbitals slightly below the conduction band, leading to band gap narrowing. ⺠Zr-doping promotes Zr 4d orbitals residing well into the conduction band, with essentially no band gap change. ⺠F/Zr-codoping results in electronic structure similar to F-monodoping, other than Ti3+ gap state positions. ⺠The influence of oxygen vacancies indicates that interplay between the dopants and oxygen vacancies is key for the improvement of photocatalytic activity. ⺠The theoretical findings present a reasonable explanation of recent experimental results.
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Authors
Run Long, Niall J. English,