Water effect on the band edges of anatase TiO<sub>2</sub> surfaces: A theoretical study on charge migration across surface heterojunctions and facet-dependent photoactivity-Reference-Cited by-同舟云学术

Water effect on the band edges of anatase TiO₂ surfaces: A theoretical study on charge migration across surface heterojunctions and facet-dependent photoactivity

Published:2023 Issue:42 Volume:25 Page:29143-29154
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Li Jie-Qiong¹²^ORCID,Hu Jin-Yuan²,Cheng Jun²^ORCID

Affiliation:

1. State Henan Engineering Center of New Energy Battery Materials, Henan D&A Engineering Center of Advanced Battery Materials, College of Chemistry and Chemical Engineering, Shangqiu Normal University, Shangqiu 476000, China

2. State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China

Abstract

The band edges of anatase TiO2/water interfaces were calculated to investigate the charge migration mechanism across surface heterojunctions and the facet-dependent photocatalytic performance.

Funder

National Natural Science Foundation of China

Xiamen Municipal Bureau of Science and Technology

Science and Technology Innovation Talents in Universities of Henan Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP03662F

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2. Photocatalytic water splitting: advantages and challenges

3. Photocatalytic Water Splitting—The Untamed Dream: A Review of Recent Advances

4. Passivated co-doping approach to bandgap narrowing of titanium dioxide with enhanced photocatalytic activity

5. C-, N-, S-, and Fe-Doped TiO2 and SrTiO3 Nanotubes for Visible-Light-Driven Photocatalytic Water Splitting: Prediction from First Principles