Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion

Point defect engineering endows catalysts with novel physical and chemical properties, elevating their electrocatalytic efficiency. The introduction of defects emerges as a promising strategy, effectively modifying the electronic structure of active sites. This optimization influences the adsorption...

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Main Authors: Wei Ma, Jiahao Yao, Fang Xie, Xinqi Wang, Hao Wan, Xiangjian Shen, Lili Zhang, Menggai Jiao, Zhen Zhou
Format: Article
Language:English
Published: KeAi Communications Co., Ltd. 2025-01-01
Series:Green Energy & Environment
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Online Access:http://www.sciencedirect.com/science/article/pii/S2468025724000384
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author Wei Ma
Jiahao Yao
Fang Xie
Xinqi Wang
Hao Wan
Xiangjian Shen
Lili Zhang
Menggai Jiao
Zhen Zhou
author_facet Wei Ma
Jiahao Yao
Fang Xie
Xinqi Wang
Hao Wan
Xiangjian Shen
Lili Zhang
Menggai Jiao
Zhen Zhou
author_sort Wei Ma
collection DOAJ
description Point defect engineering endows catalysts with novel physical and chemical properties, elevating their electrocatalytic efficiency. The introduction of defects emerges as a promising strategy, effectively modifying the electronic structure of active sites. This optimization influences the adsorption energy of intermediates, thereby mitigating reaction energy barriers, altering paths, enhancing selectivity, and ultimately improving the catalytic efficiency of electrocatalysts. To elucidate the impact of defects on the electrocatalytic process, we comprehensively outline the roles of various point defects, their synthetic methodologies, and characterization techniques. Importantly, we consolidate insights into the relationship between point defects and catalytic activity for hydrogen/oxygen evolution and CO2/O2/N2 reduction reactions by integrating mechanisms from diverse reactions. This underscores the pivotal role of point defects in enhancing catalytic performance. At last, the principal challenges and prospects associated with point defects in current electrocatalysts are proposed, emphasizing their role in advancing the efficiency of electrochemical energy storage and conversion materials.
format Article
id doaj-art-3f65fb6940a34ab38c88ebf4d1fc74e1
institution Kabale University
issn 2468-0257
language English
publishDate 2025-01-01
publisher KeAi Communications Co., Ltd.
record_format Article
series Green Energy & Environment
spelling doaj-art-3f65fb6940a34ab38c88ebf4d1fc74e12025-01-05T04:28:26ZengKeAi Communications Co., Ltd.Green Energy & Environment2468-02572025-01-01101109131Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversionWei Ma0Jiahao Yao1Fang Xie2Xinqi Wang3Hao Wan4Xiangjian Shen5Lili Zhang6Menggai Jiao7Zhen Zhou8Interdisciplinary Research Center for Sustainable Energy Science and Engineering (IRC4SE2), School of Chemical Engineering, Zhengzhou University, Henan, 450001, ChinaInterdisciplinary Research Center for Sustainable Energy Science and Engineering (IRC4SE2), School of Chemical Engineering, Zhengzhou University, Henan, 450001, ChinaInterdisciplinary Research Center for Sustainable Energy Science and Engineering (IRC4SE2), School of Chemical Engineering, Zhengzhou University, Henan, 450001, ChinaInterdisciplinary Research Center for Sustainable Energy Science and Engineering (IRC4SE2), School of Chemical Engineering, Zhengzhou University, Henan, 450001, ChinaCorresponding authors.; Interdisciplinary Research Center for Sustainable Energy Science and Engineering (IRC4SE2), School of Chemical Engineering, Zhengzhou University, Henan, 450001, ChinaInterdisciplinary Research Center for Sustainable Energy Science and Engineering (IRC4SE2), School of Chemical Engineering, Zhengzhou University, Henan, 450001, ChinaInterdisciplinary Research Center for Sustainable Energy Science and Engineering (IRC4SE2), School of Chemical Engineering, Zhengzhou University, Henan, 450001, ChinaCorresponding authors.; Interdisciplinary Research Center for Sustainable Energy Science and Engineering (IRC4SE2), School of Chemical Engineering, Zhengzhou University, Henan, 450001, ChinaInterdisciplinary Research Center for Sustainable Energy Science and Engineering (IRC4SE2), School of Chemical Engineering, Zhengzhou University, Henan, 450001, ChinaPoint defect engineering endows catalysts with novel physical and chemical properties, elevating their electrocatalytic efficiency. The introduction of defects emerges as a promising strategy, effectively modifying the electronic structure of active sites. This optimization influences the adsorption energy of intermediates, thereby mitigating reaction energy barriers, altering paths, enhancing selectivity, and ultimately improving the catalytic efficiency of electrocatalysts. To elucidate the impact of defects on the electrocatalytic process, we comprehensively outline the roles of various point defects, their synthetic methodologies, and characterization techniques. Importantly, we consolidate insights into the relationship between point defects and catalytic activity for hydrogen/oxygen evolution and CO2/O2/N2 reduction reactions by integrating mechanisms from diverse reactions. This underscores the pivotal role of point defects in enhancing catalytic performance. At last, the principal challenges and prospects associated with point defects in current electrocatalysts are proposed, emphasizing their role in advancing the efficiency of electrochemical energy storage and conversion materials.http://www.sciencedirect.com/science/article/pii/S2468025724000384Point defect engineeringDopingVacancyElectrocatalysisElectronic structure
spellingShingle Wei Ma
Jiahao Yao
Fang Xie
Xinqi Wang
Hao Wan
Xiangjian Shen
Lili Zhang
Menggai Jiao
Zhen Zhou
Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion
Green Energy & Environment
Point defect engineering
Doping
Vacancy
Electrocatalysis
Electronic structure
title Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion
title_full Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion
title_fullStr Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion
title_full_unstemmed Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion
title_short Optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion
title_sort optimizing electronic structure through point defect engineering for enhanced electrocatalytic energy conversion
topic Point defect engineering
Doping
Vacancy
Electrocatalysis
Electronic structure
url http://www.sciencedirect.com/science/article/pii/S2468025724000384
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