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Characterisation of oxygen defects and nitrogen impurities in TiO2 photocatalysts using variable-temperature X-ray powder diffraction

Abstract:
TiO2-based powder materials have been widely studied as efficient photocatalysts for water splitting due to their low cost, photo-responsivity, earthly abundance, chemical and thermal stability, etc. In particular, the recent breakthrough of nitrogen-doped TiO2, which enhances the presence of structural defects and dopant impurities at elevated temperatures, exhibits an impressive visible-light absorption for photocatalytic activity. Although their electronic and optical properties have been extensively studied, the structure-activity relationship and photocatalytic mechanism remain ambiguous. Herein, we report an in-depth structural study of rutile, anatase and mixed phases (commercial P25) with and without nitrogen-doping by variable-temperature synchrotron X-ray powder diffraction. We report that an unusual anisotropic thermal expansion of the anatase phase can reveal the intimate relationship between sub-surface oxygen vacancies, nitrogen-doping level and photocatalytic activity. For highly doped anatase, a new cubic titanium oxynitride phase is also identified which provides important information on the fundamental shift in absorption wavelength, leading to excellent photocatalysis using visible light.
Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1038/s41467-021-20977-z

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Role:
Author
ORCID:
0000-0003-1648-6175


Publisher:
Springer Nature
Journal:
Nature Communications More from this journal
Volume:
12
Issue:
1
Article number:
661
Publication date:
2021-01-28
Acceptance date:
2021-01-05
DOI:
EISSN:
2041-1723
Pmid:
33510151


Language:
English
Keywords:
Pubs id:
1159323
Local pid:
pubs:1159323
Deposit date:
2021-04-02
ARK identifier:

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