Insights into the multiple effects of oxygen vacancies on CuWO4for photoelectrochemical water oxidation

Wenlong Guo; Ya Wang; Xin Lian; Yao Nie; Shijia Tian; Shanshan Wang; Yun Zhou; Graeme Henkelman

doi:10.1039/d0cy01430c

Insights into the multiple effects of oxygen vacancies on CuWO₄for photoelectrochemical water oxidation

Wenlong Guo, Ya Wang, Xin Lian^*, Yao Nie, Shijia Tian, Shanshan Wang, Yun Zhou^*, Graeme Henkelman

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

18 Citations (Scopus)

Abstract

The multiple effects of oxygen vacancies on a CuWO4 photoanode for photoelectrochemical water oxidation are investigated. A shorter electron transfer time across the photoanode is obtained for CuWO4 with oxygen vacancies as compared to the pristine CuWO4. This provides direct evidence of the enhanced electrical conductivity for CuWO4 by oxygen vacancies. The water oxidation kinetics of CuWO4 is also found to be boosted by oxygen vacancies. This experimental result is further investigated using density functional theory calculations, which reveal that the activation barriers for H2O dehydrogenation on the surface of CuWO4 with oxygen vacancies are much lower than those of CuWO4. Interestingly, despite these advantages, oxygen vacancies are also found to be charge recombination centers on the photoanode's surface.

Original language	English
Pages (from-to)	7344-7351
Number of pages	8
Journal	Catalysis Science and Technology
Volume	10
Issue number	21
DOIs	https://doi.org/10.1039/d0cy01430c
Publication status	Published - 7 Nov 2020
Externally published	Yes

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title = "Insights into the multiple effects of oxygen vacancies on CuWO4for photoelectrochemical water oxidation",

abstract = "The multiple effects of oxygen vacancies on a CuWO4 photoanode for photoelectrochemical water oxidation are investigated. A shorter electron transfer time across the photoanode is obtained for CuWO4 with oxygen vacancies as compared to the pristine CuWO4. This provides direct evidence of the enhanced electrical conductivity for CuWO4 by oxygen vacancies. The water oxidation kinetics of CuWO4 is also found to be boosted by oxygen vacancies. This experimental result is further investigated using density functional theory calculations, which reveal that the activation barriers for H2O dehydrogenation on the surface of CuWO4 with oxygen vacancies are much lower than those of CuWO4. Interestingly, despite these advantages, oxygen vacancies are also found to be charge recombination centers on the photoanode's surface.",

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T1 - Insights into the multiple effects of oxygen vacancies on CuWO4for photoelectrochemical water oxidation

AU - Guo, Wenlong

AU - Wang, Ya

AU - Lian, Xin

AU - Nie, Yao

AU - Tian, Shijia

AU - Wang, Shanshan

AU - Zhou, Yun

AU - Henkelman, Graeme

PY - 2020/11/7

Y1 - 2020/11/7

N2 - The multiple effects of oxygen vacancies on a CuWO4 photoanode for photoelectrochemical water oxidation are investigated. A shorter electron transfer time across the photoanode is obtained for CuWO4 with oxygen vacancies as compared to the pristine CuWO4. This provides direct evidence of the enhanced electrical conductivity for CuWO4 by oxygen vacancies. The water oxidation kinetics of CuWO4 is also found to be boosted by oxygen vacancies. This experimental result is further investigated using density functional theory calculations, which reveal that the activation barriers for H2O dehydrogenation on the surface of CuWO4 with oxygen vacancies are much lower than those of CuWO4. Interestingly, despite these advantages, oxygen vacancies are also found to be charge recombination centers on the photoanode's surface.

AB - The multiple effects of oxygen vacancies on a CuWO4 photoanode for photoelectrochemical water oxidation are investigated. A shorter electron transfer time across the photoanode is obtained for CuWO4 with oxygen vacancies as compared to the pristine CuWO4. This provides direct evidence of the enhanced electrical conductivity for CuWO4 by oxygen vacancies. The water oxidation kinetics of CuWO4 is also found to be boosted by oxygen vacancies. This experimental result is further investigated using density functional theory calculations, which reveal that the activation barriers for H2O dehydrogenation on the surface of CuWO4 with oxygen vacancies are much lower than those of CuWO4. Interestingly, despite these advantages, oxygen vacancies are also found to be charge recombination centers on the photoanode's surface.

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Insights into the multiple effects of oxygen vacancies on CuWO₄for photoelectrochemical water oxidation

Abstract

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