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Fe-S dually modulated adsorbate evolution and lattice oxygen compatible mechanism for water oxidation

Author

Listed:
  • Xu Luo

    (Wuhan University of Technology)

  • Hongyu Zhao

    (Wuhan University of Technology)

  • Xin Tan

    (Wuhan University of Technology)

  • Sheng Lin

    (Wuhan University of Technology)

  • Kesong Yu

    (Wuhan University of Technology)

  • Xueqin Mu

    (Wuhan University of Technology)

  • Zhenhua Tao

    (Wuhan University of Technology)

  • Pengxia Ji

    (Wuhan University of Technology)

  • Shichun Mu

    (Wuhan University of Technology)

Abstract

Simultaneously activating metal and lattice oxygen sites to construct a compatible multi-mechanism catalysis is expected for the oxygen evolution reaction (OER) by providing highly available active sites and mediate catalytic activity/stability, but significant challenges remain. Herein, Fe and S dually modulated NiFe oxyhydroxide (R-NiFeOOH@SO4) is conceived by complete reconstruction of NiMoO4·xH2O@Fe,S during OER, and achieves compatible adsorbate evolution mechanism and lattice oxygen oxidation mechanism with simultaneously optimized metal/oxygen sites, as substantiated by in situ spectroscopy/mass spectrometry and chemical probe. Further theoretical analyses reveal that Fe promotes the OER kinetics under adsorbate evolution mechanism, while S excites the lattice oxygen activity under lattice oxygen oxidation mechanism, featuring upshifted O 2p band centers, enlarged d-d Coulomb interaction, weakened metal-oxygen bond and optimized intermediate adsorption free energy. Benefiting from the compatible multi-mechanism, R-NiFeOOH@SO4 only requires overpotentials of 251 ± 5/291 ± 1 mV to drive current densities of 100/500 mA cm−2 in alkaline media, with robust stability for over 300 h. This work provides insights in understanding the OER mechanism to better design high-performance OER catalysts.

Suggested Citation

  • Xu Luo & Hongyu Zhao & Xin Tan & Sheng Lin & Kesong Yu & Xueqin Mu & Zhenhua Tao & Pengxia Ji & Shichun Mu, 2024. "Fe-S dually modulated adsorbate evolution and lattice oxygen compatible mechanism for water oxidation," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
    • Handle: RePEc:nat:natcom:v:15:y:2024:i:1:d:10.1038_s41467-024-52682-y
    DOI: 10.1038/s41467-024-52682-y
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