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Volume 18
Issue 21
10.3390/ma18214964
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Review

Enhancing CO2 Reduction Performance on Cu-Based Catalysts: Modulating Electronic Properties and Molecular Configurations

by
Huimin Han
1,
Luxin Yang
1,
Chao Han
1,
Maosheng Bi
1,
Hongbo Li
2,
Yuwei Zeng
2,
Kunming Pan
1,3,
Shengyu Yin
4,
Fang Wang
2,5,* and
Saifei Pan
6,*
1
School of Materials Science and Engineering, Henan University of Science and Technology, Luoyang 471000, China
2
School of Energy and Chemical Engineering, Luoyang Institute of Science and Technology, Luoyang 471023, China
3
Longmen Laboratory, Luoyang 471000, China
4
Longbai Group Co., Ltd., Jiaozuo 454191, China
5
Henan Key Laboratory of Green Building Materials Manufacturing and Intelligent Equipment, Luoyang 471023, China
6
College of Vehicle and Traffic Engineering, Henan University of Science and Technology, Luoyang 471003, China
*
Authors to whom correspondence should be addressed.
Materials 2025, 18(21), 4964; https://doi.org/10.3390/ma18214964
Submission received: 23 September 2025 / Revised: 10 October 2025 / Accepted: 27 October 2025 / Published: 30 October 2025
(This article belongs to the Section Catalytic Materials)
Versions Notes

Abstract

The renewable-energy-powered electrocatalytic CO2 reduction reaction (CO2RR) efficiently converts CO2 into high-value chemicals and fuels, offering a promising approach to addressing environmental and energy sustainability challenges. This process is of immense significance for constructing a sustainable artificial carbon cycle. Cu-based catalysts exhibit remarkable catalytic activity and broad product selectivity in CO2RR, which can be attributed to their excellent electrical conductivity, moderate adsorption energy, and unique electronic structure. This review comprehensively summarizes the advantages, practical applications, and mechanistic insights of Cu-based catalysts in CO2RR, with a systematic based on recent advances in tuning strategies via electronic effects and structural design. Specifically, it emphasizes the influence of electronic structure tuning (electron-donating/-withdrawing effects and steric hindrance effects), active center tuning (single-atom catalysts, heterogeneous synergetic effects, and polymer modification), and surface structure (morphology effect, valence-state effect, and crystalline-facet effect) influences on catalytic performance. By rationally designing the catalyst structure, the adsorption behavior of reaction intermediates can be effectively regulated, thereby enabling the highly selective generation of target products. The objective of this paper is to provide a theoretical framework and actionable strategies for the structural design and catalytic performance optimization of Cu-based catalysts, with the ultimate goal of promoting the development and practical application of efficient CO2RR catalytic systems.
Keywords: carbon dioxide reduction reaction; Cu-based catalyst; electronic effect; structural tuning; selectivity carbon dioxide reduction reaction; Cu-based catalyst; electronic effect; structural tuning; selectivity

Share and Cite

MDPI and ACS Style

Han, H.; Yang, L.; Han, C.; Bi, M.; Li, H.; Zeng, Y.; Pan, K.; Yin, S.; Wang, F.; Pan, S. Enhancing CO2 Reduction Performance on Cu-Based Catalysts: Modulating Electronic Properties and Molecular Configurations. Materials 2025, 18, 4964. https://doi.org/10.3390/ma18214964

AMA Style

Han H, Yang L, Han C, Bi M, Li H, Zeng Y, Pan K, Yin S, Wang F, Pan S. Enhancing CO2 Reduction Performance on Cu-Based Catalysts: Modulating Electronic Properties and Molecular Configurations. Materials. 2025; 18(21):4964. https://doi.org/10.3390/ma18214964

Chicago/Turabian Style

Han, Huimin, Luxin Yang, Chao Han, Maosheng Bi, Hongbo Li, Yuwei Zeng, Kunming Pan, Shengyu Yin, Fang Wang, and Saifei Pan. 2025. "Enhancing CO2 Reduction Performance on Cu-Based Catalysts: Modulating Electronic Properties and Molecular Configurations" Materials 18, no. 21: 4964. https://doi.org/10.3390/ma18214964

APA Style

Han, H., Yang, L., Han, C., Bi, M., Li, H., Zeng, Y., Pan, K., Yin, S., Wang, F., & Pan, S. (2025). Enhancing CO2 Reduction Performance on Cu-Based Catalysts: Modulating Electronic Properties and Molecular Configurations. Materials, 18(21), 4964. https://doi.org/10.3390/ma18214964

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