Volume 64, Issue 30 e202505031
Research Article

Delicate Control Over Electron Distribution and Water Dissociation Kinetics in Strongly Coupled Ru@NMoC Hybrid Catalyst Realizes Efficient Seawater Electrolysis

Jintao Zhao

Jintao Zhao

School of Materials Science and Engineering, Anhui Key Laboratory of Information Materials and Devices, Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of Education, Anhui University, Hefei, Anhui, 230601 P.R. China

Both authors contributed equally to this work.

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Jie Wang

Jie Wang

School of Materials Science and Engineering, Anhui Key Laboratory of Information Materials and Devices, Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of Education, Anhui University, Hefei, Anhui, 230601 P.R. China

Both authors contributed equally to this work.

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Dr. Jixin Yao

Corresponding Author

Dr. Jixin Yao

Anhui Province Key Laboratory of Simulation and Design for Electronic Information System, Universities Joint Key Laboratory of Photoelectric Detection Science and Technology in Anhui Province, Hefei Normal University, Hefei, Anhui, 230601 P.R. China

E-mail: [email protected]; [email protected]; [email protected]

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Liang Li

Liang Li

School of Materials Science and Engineering, Anhui Key Laboratory of Information Materials and Devices, Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of Education, Anhui University, Hefei, Anhui, 230601 P.R. China

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Prof. Dongmeng Chen

Prof. Dongmeng Chen

College of Science, China University of Petroleum, Qingdao, 266580 P.R. China

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Prof. Guang Li

Corresponding Author

Prof. Guang Li

School of Materials Science and Engineering, Anhui Key Laboratory of Information Materials and Devices, Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of Education, Anhui University, Hefei, Anhui, 230601 P.R. China

E-mail: [email protected]; [email protected]; [email protected]

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Prof. Genqiang Zhang

Corresponding Author

Prof. Genqiang Zhang

Hefei National Research Center for Physical Sciences at the Microscale, CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China, Hefei, Anhui, 230026 P.R. China

E-mail: [email protected]; [email protected]; [email protected]

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First published: 22 May 2025

Graphical Abstract

In alkaline seawater, ruthenium clusters in nitrogen-doped molybdenum carbide (Ru@NMoC) act as highly efficient catalysts to promote the hydrogen evolution reaction (HER). Theoretical calculations and X-ray absorption spectroscopy reveal that nitrogen doping induces electron redistribution around the Ru clusters, optimizing their electronic structure. This enhances the adsorption and desorption of intermediates, accelerating the HER kinetics.

Abstract

Delicate control over electron distribution in hybrid catalysts is crucial for improving hydrogen evolution catalysis, which remains an aspirational target in advancing efficient hydrogen production. Herein, we optimize the local electronic structures and balance the reaction steps by incorporating Ru clusters into nitrogen-doped molybdenum carbide (denoted as Ru@NMoC), addressing performance limitations in alkaline seawater. The Ru@NMoC catalyst demonstrates ultralow overpotentials of 8, 17, and 20 mV at 10 mA cm⁻2 in 1 M KOH, 1 M KOH + 0.5 M NaCl, and 1 M KOH seawater, respectively, significantly outperforming conventional HER catalysts. Operando spectroscopic techniques reveal strong ability for interface water dissociation and stable local charge structure in Ru@NMoC. Theoretical simulations demonstrate that N-doping of Ru clusters self-optimizes their electronic states and lowering the energy barrier for water dissociation. Self-powered H2 production system can be achieved using Zn–H₂O batteries to drive anion exchange membrane water electrolysis cell, demonstrating its practicability.

Conflict of Interests

The authors declare no conflict of interest.

Data Availability Statement

The data that support the findings of this study are available from the corresponding author upon reasonable request.

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