Bandgap engineering of Magnéli phase Ti{sub n}O{sub 2n−1}: Electron-hole self-compensation
Journal Article
·
· Journal of Chemical Physics
- State Key Laboratory of Organic-Inorganic Composites, Beijing University of Chemical Technology, Beijing 100029 (China)
- State Key Laboratory of Luminescence and Applications, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China)
An electron-hole self-compensation effect is revealed and confirmed in nitrogen doped Magnéli phase Ti{sub n}O{sub 2n−1} (n = 7, 8, and 9) by using hybrid density functional theory calculations. We found that the self-compensation effect between the free electrons in Magnéli phase Ti{sub n}O{sub 2n−1} (n = 7, 8, and 9) and the holes induced by p-type nitrogen doping could not only prevent the recombination of photo-generated electron-hole pairs, but also lead to an effective bandgap reduction. This novel electron-hole self-compensation effect may provide a new approach for bandgap engineering of Magnéli phase metal suboxides.
- OSTI ID:
- 22493493
- Journal Information:
- Journal of Chemical Physics, Vol. 143, Issue 5; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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