Computational chemistry for water-splitting electrocatalysis

Licheng Miao; Wenqi Jia; Xuejie Cao; Lifang Jiao

doi:10.1039/d2cs01068b

journal article Jan 01, 2024

Computational chemistry for water-splitting electrocatalysis

Licheng Miao

Wenqi Jia

Xuejie Cao

Lifang Jiao

Chemical Society Reviews Vol. 53 No. 6 pp. 2771-2807 · Royal Society of Chemistry (RSC)

View at Publisher Save 10.1039/d2cs01068b

Abstract

This review presents the basics of electrochemical water electrolysis, discusses the progress in computational methods, models, and descriptors, and evaluates the remaining challenges in this field.

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Citations

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References

Details

Published: Jan 01, 2024
Vol/Issue: 53(6)
Pages: 2771-2807
License: View

Authors

L

Licheng Miao

Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), College of Chemistry, Nankai University, Tianjin 300071, China

W

Wenqi Jia

Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), College of Chemistry, Nankai University, Tianjin 300071, China

X

Xuejie Cao

Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), College of Chemistry, Nankai University, Tianjin 300071, China

L

Lifang Jiao

Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), College of Chemistry, Nankai University, Tianjin 300071, China

Funding

National Natural Science Foundation of China Award: 52025013

Fundamental Research Funds for the Central Universities

Cite This Article

Licheng Miao, Wenqi Jia, Xuejie Cao, et al. (2024). Computational chemistry for water-splitting electrocatalysis. Chemical Society Reviews, 53(6), 2771-2807. https://doi.org/10.1039/d2cs01068b

Computational chemistry for water-splitting electrocatalysis

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