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Vol. 18 (2026)

Geometric and Electronic Engineering of Hydrogen Peroxide Production Electrocatalysts

https://doi.org/10.1007/s40820-026-02189-6
Chang Zhang
School of Chemistry and Chemical Engineering, Hainan University, Haikou 570228, People’s Republic of China
Min Song
School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 430074, People’s Republic of China
Huiyao Qi
School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 430074, People’s Republic of China
Hongshang Hu
School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 430074, People’s Republic of China
Lilong Zhang
School of Chemistry and Chemical Engineering, Hainan University, Haikou 570228, People’s Republic of China
Houfeng Zhang
School of Chemistry and Chemical Engineering, Hainan University, Haikou 570228, People’s Republic of China
Lipiao Bao
School of Chemistry and Chemical Engineering, Hainan University, Haikou 570228, People’s Republic of China
Huiying Yang
College of Design and Engineering, National University of Singapore, 21 Lower Kent Ridge Road, Singapore 119077, Singapore
Jian Zhang
School of Chemistry and Chemical Engineering, Hainan University, Haikou 570228, People’s Republic of China
Xing Lu
School of Chemistry and Chemical Engineering, Hainan University, Haikou 570228, People’s Republic of China

Corresponding Author: Xing Lu

lux@hust.edu.cn

Nano-Micro Letters, Vol. 18 (2026), Article Number: 368

Abstract

Selective synthesis of hydrogen peroxide (H2O2) by two-electron oxygen reduction reaction (2e– ORR) has emerged as an attractive alternative to the complex and energy-consuming anthraquinone method. Electrocatalysts play a crucial role in this process, as they determine catalytic activity and selectivity, which are strongly related to their geometric and electronic structures. However, the complexity of the composition and structure of the catalytically active site poses a significant challenge to understanding the relationship between the geometric/electronic structures and ORR activity/selectivity of the electrocatalyst. Herein, we systematically summarize and discuss the latest advances in the geometric and electronic modulations of electrocatalysts toward H2O2 synthesis. First, the basic principle of adsorption and reduction behaviors of oxygen species on the catalyst surface is introduced, and the influence of geometric and electronic structures is highlighted. Secondly, the recent advances in catalyst design via these two strategies are presented. Thirdly, the features of various electrocatalysts associated with their electrochemical performance are summarized and analyzed. Finally, the current challenges and future directions for the research and development of H2O2 production are discussed. This review provides insights that contribute to the development of next-generation catalysts for sustainable H2O2 production, addressing both environmental and energy challenges.


Highlights:
1 The effects of catalyst geometric/electronic structures on the adsorption configurations and strengths of oxygen reduction intermediates are discussed.
2 The strategies for regulating the oxygen reduction reaction activity and selectivity of catalysts are summarized.
3 The features of various electrocatalysts associated with their electrochemical performance are analyzed.

Keywords

Geometric and electronic structures Electrocatalysts Two-electron oxygen reduction reaction Activity Selectivity
Zhang, Chang, Min Song, Huiyao Qi, Hongshang Hu, Lilong Zhang, Houfeng Zhang, Lipiao Bao, Huiying Yang, Jian Zhang, and Xing Lu. 2026. “Geometric and Electronic Engineering of Hydrogen Peroxide Production Electrocatalysts”. Nano-Micro Letters 18 (May):368. https://doi.org/10.1007/s40820-026-02189-6.
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