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<p>Dual-atom catalysts (DACs) hold significant promise for advanced oxidation processes. However, their practical applications are often limited by sluggish electron transfer and low atomic utilization efficiency. Herein, we report that P-bridged Fe-Cu dual-atom catalysts (FeCu-NP-C) are precisely modulated by first-shell N and P ligands, forming a unique N<sub>3</sub>Fe-P<sub>1</sub>-CuN<sub>3</sub> structure. The Fe-P-Cu bridging bond induces <i>d</i>-<i>p</i>-<i>d</i> gradient orbital coupling to establish a directional electron-transfer channel from the Cu site (electron donor) to the Fe site (electron acceptor) for enabling ultrafast pollutant degradation and bacterial inactivation. The FeCu-NP-C catalyst enables peroxymonosulfate activation to selectively generate high-valent iron-oxo species with a steady-state concentration of 5.80 × 10<sup>−5 </sup>mM, which is 100 times higher than that of Fe-NP-C. The FeCu-NP-C membrane reactor achieves a treatment capacity of 500 L of wastewater per gram of catalyst over 100 h, at an operational cost of USD 0.16 per tonne. This work provides deep insights into the bridge-mediated orbital interactions of DACs for water decontamination.</p>

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Orbital coupling in bridge-mediated FeCu dual-atom catalysts for water decontamination

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年7月8日

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  • Ke Zhu,
  • Yuheng Yao,
  • Yongjian Zeng,
  • Bin Liu,
  • Huiming Wen,
  • Yuchen Wang,
  • Kai Yan

摘要

Dual-atom catalysts (DACs) hold significant promise for advanced oxidation processes. However, their practical applications are often limited by sluggish electron transfer and low atomic utilization efficiency. Herein, we report that P-bridged Fe-Cu dual-atom catalysts (FeCu-NP-C) are precisely modulated by first-shell N and P ligands, forming a unique N3Fe-P1-CuN3 structure. The Fe-P-Cu bridging bond induces d-p-d gradient orbital coupling to establish a directional electron-transfer channel from the Cu site (electron donor) to the Fe site (electron acceptor) for enabling ultrafast pollutant degradation and bacterial inactivation. The FeCu-NP-C catalyst enables peroxymonosulfate activation to selectively generate high-valent iron-oxo species with a steady-state concentration of 5.80 × 10−5 mM, which is 100 times higher than that of Fe-NP-C. The FeCu-NP-C membrane reactor achieves a treatment capacity of 500 L of wastewater per gram of catalyst over 100 h, at an operational cost of USD 0.16 per tonne. This work provides deep insights into the bridge-mediated orbital interactions of DACs for water decontamination.