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Curved interface-induced Jahn-Teller effect in single-atom catalysts for water purification

Author

Listed:
  • Ke Zhu

    (Sun Yat-sen University, Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology, School of Environmental Science and Engineering)

  • Ligang Wang

    (Tianjin University, Institute of Molecular Plus)

  • Zhuofeng Hu

    (Sun Yat-sen University, Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology, School of Environmental Science and Engineering)

  • Xiaoying Liang

    (Sun Yat-sen University, Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology, School of Environmental Science and Engineering)

  • Zechao Zhuang

    (Tsinghua University, Department of Chemistry)

  • Xin Li

    (Sun Yat-sen University, Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology, School of Environmental Science and Engineering)

  • Jiarui Yang

    (Tsinghua University, Department of Chemistry)

  • Rongliang Qiu

    (Sun Yat-sen University, Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology, School of Environmental Science and Engineering)

  • Dingsheng Wang

    (Tsinghua University, Department of Chemistry)

  • Kai Yan

    (Sun Yat-sen University, Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology, School of Environmental Science and Engineering)

Abstract

Single-atom catalysts (SACs)-based advanced oxidation processes (AOPs) are an ideal green and efficient water purification technology, but intrinsic mechanisms and interface effects pose significant challenges. Herein, we have achieved precise Jahn-Teller (J-T) effect control of atomic metal-N4-C (M-N4-C: M = Mn, Fe, Co, and Ni) to boost the AOPs, showing a volcano-fit-like behavior. Theoretical calculation and experiments reveal the adsorption of O-O of peroxymonosulfate on the M-N4-C site, leading to the local C plane bending and inducing the intensity of the J-T effect of Mn, Fe and Co, weakening the d-p orbital hybridization ability with *HSO4 intermediates for reducing the energy barrier for reactive oxygen species production. Importantly, the long-term activity of 100 h in a 20 L flow reactor indicates promising practical wastewater treatment on an industrial scale. This work presents a perspective on the rational design of tuning the metal d orbital in SACs for sustainable environmental remediation.

Suggested Citation

  • Ke Zhu & Ligang Wang & Zhuofeng Hu & Xiaoying Liang & Zechao Zhuang & Xin Li & Jiarui Yang & Rongliang Qiu & Dingsheng Wang & Kai Yan, 2025. "Curved interface-induced Jahn-Teller effect in single-atom catalysts for water purification," Nature Communications, Nature, vol. 16(1), pages 1-12, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-66043-w
    DOI: 10.1038/s41467-025-66043-w
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