Catalyst‐Engineered Proton Transfer Pathways for Selective Hydrogen Peroxide Electrosynthesis in Solid‐State Electrolytes

J Jun Wang J Junheng Huang (State Key Laboratory of Structural Chemistry, and Fujian Provincial Key Laboratory of Materials and Techniques Toward Hydrogen Energy) C Chunguang Jia (Key Laboratory of Jiangxi Province for Persistent Pollutants Control and Resources Recycle Nanchang Hangkong University Nanchang 330063 P.R. China) W Wenxing Chen (School of Materials Science and Engineering) J Junxiang Chen (State Key Laboratory of Structural Chemistry and Fujian Provincial Key Laboratory of Materials and Techniques Toward Hydrogen Energy) S Shengjian Lin (State Key Laboratory of Structural Chemistry and Fujian Provincial Key Laboratory of Materials and Techniques toward Hydrogen Energy Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fuzhou Fujian 350002 P.R. China) Y Yangjie Liu (State Key Laboratory of Structural Chemistry and Fujian Provincial Key Laboratory of Materials and Techniques toward Hydrogen Energy Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences Fuzhou Fujian 350002 China) K Kai Chen Y Yiqi Liang S Suqin Ci (Key Laboratory of Jiangxi Province for Persistent Pollutants Control and Resources Recycle Nanchang Hangkong University Nanchang 330063 P.R. China) Z Zhenhai Wen (State Key Laboratory of Structural Chemistry, and Fujian Provincial Key Laboratory of Materials and Techniques Toward Hydrogen Energy)

Abstract

Abstract Polymer‐based solid electrolyte (SE) cells promise electrochemical synthesis of pure hydrogen peroxide (H 2 O 2 ), yet the protonation mechanisms governing the two‐electron oxygen reduction reaction (2e − ‐ORR) remain unclear when using pure water as the proton source. Both Langmuir–Hinshelwood (LH, surface *H‐mediated) and Eley–Rideal (ER, water‐derived proton‐coupled) pathways are theoretically plausible, but their practical dominance under SE conditions lacks experimental validation. Herein, we designed a hierarchical Ni─N 2 ─C─O single‐atom/NiO nanocluster co‐decorated porous carbon nanosheet catalyst (NiSA‐NiO/pCNs) that achieved a Faradaic efficiency of 97% and a H 2 O 2 partial current density of 356 mA cm⁻ 2 (equivalent to 6.6 mmol cm −2  h −1 production rate) in a porous SE cell. Analysis of reaction intermediates and the local pH using in situ Raman spectroscopy, kinetic isotope effect, and density functional theory simulations showed the critical role of NiO nanoclusters in tuning the protonation pathway: NiO activates the ER mechanism via fast proton transfer from water dissociation, whereas NiSA/pCNs without NiO preferentially follow the LH mechanism through surface‐adsorbed *H intermediates from interfacial transferred proton. These findings establish a catalyst design principle for proton transfer control in solid‐state H 2 O 2 electrosynthesis.

Article Details

Volume / Issue Vol. 64, Issue 35
Published August 25, 2025
ISSN 1433-7851
Publisher Wiley

Journal Info

Angewandte Chemie International Edition

Wiley

ISSN: 1433-7851 Physical Sciences

Authors (11)

J

Jun Wang

J

Junheng Huang

State Key Laboratory of Structural Chemistry, and Fujian Provincial Key Laboratory of Materials and Techniques Toward Hydrogen Energy

C

Chunguang Jia

Key Laboratory of Jiangxi Province for Persistent Pollutants Control and Resources Recycle Nanchang Hangkong University Nanchang 330063 P.R. China

W

Wenxing Chen

School of Materials Science and Engineering

J

Junxiang Chen

State Key Laboratory of Structural Chemistry and Fujian Provincial Key Laboratory of Materials and Techniques Toward Hydrogen Energy

S

Shengjian Lin

State Key Laboratory of Structural Chemistry and Fujian Provincial Key Laboratory of Materials and Techniques toward Hydrogen Energy Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fuzhou Fujian 350002 P.R. China

Y

Yangjie Liu

State Key Laboratory of Structural Chemistry and Fujian Provincial Key Laboratory of Materials and Techniques toward Hydrogen Energy Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences Fuzhou Fujian 350002 China

K

Kai Chen

Y

Yiqi Liang

S

Suqin Ci

Key Laboratory of Jiangxi Province for Persistent Pollutants Control and Resources Recycle Nanchang Hangkong University Nanchang 330063 P.R. China

Z

Zhenhai Wen

State Key Laboratory of Structural Chemistry, and Fujian Provincial Key Laboratory of Materials and Techniques Toward Hydrogen Energy