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4f-modified Ru-O polarity as a descriptor for efficient electrocatalytic acidic oxygen evolution

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  • Xiuxiu Zhang

    (University of Science and Technology of China
    University of Science and Technology of China)

  • Yuhao Zhang

    (University of Science and Technology of China)

  • Bogdan O. Protsenko

    (Southern Federal University)

  • Mikhail A. Soldatov

    (Southern Federal University)

  • Jing Zhang

    (University of Science and Technology of China)

  • Chenyu Yang

    (University of Science and Technology of China)

  • Shuowen Bo

    (University of Science and Technology of China)

  • Huijuan Wang

    (University of Science and Technology of China)

  • Xin Chen

    (Southwest Petroleum University)

  • Chao Wang

    (University of Science and Technology of China)

  • Weiren Cheng

    (University of Science and Technology of China)

  • Qinghua Liu

    (University of Science and Technology of China)

Abstract

The development of non-iridium-based oxygen evolution reaction (OER) catalysts is crucial for proton exchange membrane water electrolysis (PEMWE), but hydrogen production remains a great challenge because of sluggish OER kinetics and severe catalyst dissolution. Here, we present a 4f-induced covalent polarity modulation strategy for the construction of 4f-orbital-modified RuO2 (4f-RuO2) nanocatalysts with tunable Ru–O polarity. We find that the OER activity of 4f-RuO2 shows a volcano shape as a function of the polarity of Ru–O bond. Consequently, the best 4f-Nd-RuO2 catalyst possesses an ultra-low overpotential of 214 mV at 10 mA cm−2 and robust electrochemical stability in 0.1 M HClO4. Theoretical calculations coupled with in situ synchrotron infrared and X-ray absorption spectroscopy analyses reveal that the modulation of Ru–O polarity in RuO2 by the valence f−p−d gradient orbital coupling can modify the adsorption energy of the reaction intermediates and suppress the participation of lattice oxygen to avoid over-oxidation of Ru, which can thus serve as an effective descriptor for fine tuning the activity and durability of acidic OER nanocatalysts.

Suggested Citation

  • Xiuxiu Zhang & Yuhao Zhang & Bogdan O. Protsenko & Mikhail A. Soldatov & Jing Zhang & Chenyu Yang & Shuowen Bo & Huijuan Wang & Xin Chen & Chao Wang & Weiren Cheng & Qinghua Liu, 2025. "4f-modified Ru-O polarity as a descriptor for efficient electrocatalytic acidic oxygen evolution," Nature Communications, Nature, vol. 16(1), pages 1-11, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-62258-z
    DOI: 10.1038/s41467-025-62258-z
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