Nano-Micro Letters, Volume. 17, Issue 1, 011(2025)

Boosting Oxygen Evolution Reaction Performance on NiFe-Based Catalysts Through d-Orbital Hybridization

Xing Wang1,†... Wei Pi1,†, Sheng Hu1, Haifeng Bao1,*, Na Yao1,** and Wei Luo2,*** |Show fewer author(s)
Author Affiliations
  • 1State Key Laboratory of New Textile Materials and Advanced Processing Technology, Key Laboratory of New Textile Materials and Applications of Hubei Province, School of Materials Science and Engineering, Wuhan Textile University, Wuhan 430200, People’s Republic of China
  • 2College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, People’s Republic of China
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    Anion-exchange membrane water electrolyzers (AEMWEs) for green hydrogen production have received intensive attention due to their feasibility of using earth-abundant NiFe-based catalysts. By introducing a third metal into NiFe-based catalysts to construct asymmetrical M-NiFe units, the d-orbital and electronic structures can be adjusted, which is an important strategy to achieve sufficient oxygen evolution reaction (OER) performance in AEMWEs. Herein, the ternary NiFeM (M: La, Mo) catalysts featured with distinct M-NiFe units and varying d-orbitals are reported in this work. Experimental and theoretical calculation results reveal that the doping of La leads to optimized hybridization between d orbital in NiFeM and 2p in oxygen, resulting in enhanced adsorption strength of oxygen intermediates, and reduced rate-determining step energy barrier, which is responsible for the enhanced OER performance. More critically, the obtained NiFeLa catalyst only requires 1.58 V to reach 1 A cm-2 in an anion exchange membrane electrolyzer and demonstrates excellent long-term stability of up to 600 h.

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    Xing Wang, Wei Pi, Sheng Hu, Haifeng Bao, Na Yao, Wei Luo. Boosting Oxygen Evolution Reaction Performance on NiFe-Based Catalysts Through d-Orbital Hybridization[J]. Nano-Micro Letters, 2025, 17(1): 011

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    Paper Information

    Category: Research Articles

    Received: Jun. 8, 2024

    Accepted: Sep. 1, 2024

    Published Online: Feb. 12, 2025

    The Author Email: Bao Haifeng (baohaifeng@wtu.edu.cn), Yao Na (yaona@wtu.edu.cn), Luo Wei (wluo@whu.edu.cn)

    DOI:10.1007/s40820-024-01528-9

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