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Oxygen-Vacancy-Driven Orbital Reconstruction at the Surface of TiO2Core-Shell Nanostructures

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Title
Oxygen-Vacancy-Driven Orbital Reconstruction at the Surface of TiO2Core-Shell Nanostructures
Author(s)
Paidi, Vinod K.; Byoung-Hoon Lee; Ahn, Docheon; Kim, Ki-Jeong; Kim, Younghak; Taeghwan Hyeon; Lee, Kug-Seung
Publication Date
2021-10-13
Journal
Nano Letters, v.21, no.19, pp.7953 - 7959
Publisher
American Chemical Society
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 C3v, which implies that the Ti exists in two local symmetries (D2d and C3v) 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.
URI
https://pr.ibs.re.kr/handle/8788114/10779
DOI
10.1021/acs.nanolett.1c01995
ISSN
1530-6984
Appears in Collections:
Center for Nanoparticle Research(나노입자 연구단) > 1. Journal Papers (저널논문)
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