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Oxygen-Vacancy-Driven Orbital Reconstruction at the Surface of TiO2 Core-Shell Nanostructures
Cited 12 time in
Web of Science
Cited 10 time in Scopus
- Authors
- Issue Date
- 2021-10-13
- Publisher
- American Chemical Society
- Citation
- Nano Letters, Vol.21 No.19, pp.7953-7959
- Abstract
- Oxygen vacancies and their correlation with the electronic structure are crucial to understanding the functionality of TiO2 nanocrystals in material design applications. Here, we report spectroscopic investigations of the electronic structure of anatase TiO2 nanocrystals by employing hard and soft X-ray absorption spectroscopy measurements along with the corresponding model calculations. We show that the oxygen vacancies significantly transform the Ti local symmetry by modulating the covalency of titanium-oxygen bonds. Our results suggest that the altered Ti local symmetry is similar to the C-3v, which implies that the Ti exists in two local symmetries (D-2d and C-3v) at the surface. The findings also indicate that the Ti distortion is a short-range order effect and presumably confined up to the second nearest neighbors. Such distortions modulate the electronic structure and provide a promising approach to structural design of the TiO2 nanocrystals.
- ISSN
- 1530-6984
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