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Exploring a bimetallic catalyst family for hydrogen oxidation with insights into superior activity and durability

Author

Listed:
  • I-Ting Kao

    (National Tsing Hua University, Department of Chemical Engineering)

  • Rui-Tong Kuo

    (National Cheng Kung University, Department of Chemical Engineering)

  • Shang-Cheng Lin

    (National Tsing Hua University, Department of Chemical Engineering)

  • Yun-Shan Tsai

    (National Tsing Hua University, Department of Chemical Engineering)

  • Lu-Yu Chueh

    (National Tsing Hua University, Department of Chemical Engineering)

  • Chun-Wei Chang

    (National Tsing Hua University, Department of Chemical Engineering)

  • Kuan-Fang Lee

    (National Tsing Hua University, Department of Chemical Engineering)

  • Liang-Ching Hsu

    (National Synchrotron Radiation Research Center
    National Chung Hsing University, Soil and Environmental Sciences)

  • Jui-Tai Lin

    (National Tsing Hua University, Department of Chemical Engineering)

  • Chia-Ying Wu

    (National Tsing Hua University, Department of Chemical Engineering)

  • Chih-Wen Pao

    (National Synchrotron Radiation Research Center)

  • Yung-Tin Frank Pan

    (National Tsing Hua University, Department of Chemical Engineering)

  • Hong-Kang Tian

    (National Cheng Kung University, Department of Chemical Engineering
    National Cheng Kung University, Program on Smart and Sustainable Manufacturing, Academy of Innovative Semiconductor and Sustainable Manufacturing
    National Cheng Kung University, Center for Resilience and Intelligence on Sustainable Energy Research (RiSER)
    National Taiwan University of Science and Technology, Sustainable Electrochemical Energy Development (SEED) Center)

  • Tung-Han Yang

    (National Tsing Hua University, Department of Chemical Engineering
    National Tsing Hua University, College of Semiconductor Research
    National Tsing Hua University, High Entropy Materials Center)

Abstract

Anion exchange membrane fuel cells are limited by the slow kinetics of the alkaline hydrogen oxidation reaction (HOR). Aided by density functional theory combined with fine-tuned machine learning interatomic potential, we establish a family of bimetallic catalysts with controlled surface atomic arrangements to identify the optimal catalysts for HOR. Our theoretical analysis successfully predicts the HOR activity rankings of these catalysts, consistent with the experimental results. RuIr exhibits the highest activity, followed by PtRu, AuIr, PtRh, PtIr, PtAu, RhIr, RuRh, AuRu, and AuRh. These trends correlate with the electron-accepting tendencies and the adsorption strengths of H2 and OH* on the catalysts. Among all candidates, RuIr emerges as the most active and durable bimetallic catalyst. Furthermore, operando X-ray absorption spectroscopy and electrochemical measurements reveal a strong synergistic effect of RuIr, where Ir exhibits superior electron-accepting tendency and strong H2 adsorption, while Ru demonstrates strong OH* adsorption, accelerating the alkaline HOR process.

Suggested Citation

  • I-Ting Kao & Rui-Tong Kuo & Shang-Cheng Lin & Yun-Shan Tsai & Lu-Yu Chueh & Chun-Wei Chang & Kuan-Fang Lee & Liang-Ching Hsu & Jui-Tai Lin & Chia-Ying Wu & Chih-Wen Pao & Yung-Tin Frank Pan & Hong-Kan, 2025. "Exploring a bimetallic catalyst family for hydrogen oxidation with insights into superior activity and durability," Nature Communications, Nature, vol. 16(1), pages 1-16, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-65503-7
    DOI: 10.1038/s41467-025-65503-7
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