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Peer-reviewedCC BY-NC-NDNature Communications

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

  1. 1Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology, School of Environmental Science and Engineering, Sun Yat-sen University, Guangzhou, China
  2. 2Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology, School of Environmental Science and Engineering, Sun Yat-sen University, Guangzhou, China. [email protected]

Abstract

Dual-atom catalysts (DACs) hold significant promise for advanced oxidation processes. However, their practical application is often limited by sluggish electron transfer and low atomic utilization efficiency. Herein, we report that P-bridged Fe-Cu bimetallic catalysts (FeCu-NP-C) were precisely modulated by first-shell N and P ligands, forming a unique N 3 Fe-P 1 -CuN 3 structure. The Fe-P-Cu bridging bond induced 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. FeCu-NP-C activated peroxymonosulfate to selectively generate high-valent iron-oxo species at a concentration of 5.80 × 10 − 5 mM, which was 100 times higher than that of Fe-NP-C. Remarkably, the FeCu-NP-C membrane reactor achieved a treatment capacity of 500 L of wastewater per gram of catalyst over 100 h, at an operational cost of US$0.055 per ton. This work provides deep insights into the bridge-mediated orbital interactions of DACs for water decontamination.

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BibTeX
@article{zhu2026orbital,
  title = {{Orbital coupling in bridge-mediated FeCu dual-atom catalysts for water decontamination}},
  author = {Ke Zhu and Yuheng Yao and Yongjian Zeng and B Q Liu and Huiming Wen and Yuchen Wang and Kai Yan},
  journal = {Nature Communications},
  year = {2026},
  month = jul,
  doi = {10.1038/s41467-026-75032-6},
  url = {https://doi.org/10.1038/s41467-026-75032-6},
  note = {CC BY-NC-ND},
}
RIS
TY  - JOUR
TI  - Orbital coupling in bridge-mediated FeCu dual-atom catalysts for water decontamination
AU  - Ke Zhu
AU  - Yuheng Yao
AU  - Yongjian Zeng
AU  - B Q Liu
AU  - Huiming Wen
AU  - Yuchen Wang
AU  - Kai Yan
PY  - 2026
DA  - 2026/07/08
JO  - Nature Communications
DO  - 10.1038/s41467-026-75032-6
UR  - https://doi.org/10.1038/s41467-026-75032-6
AB  - Dual-atom catalysts (DACs) hold significant promise for advanced oxidation processes. However, their practical application is often limited by sluggish electron transfer and low atomic utilization efficiency. Herein, we report that P-bridged Fe-Cu bimetallic catalysts (FeCu-NP-C) were precisely modulated by first-shell N and P ligands, forming a unique N 3 Fe-P 1 -CuN 3 structure. The Fe-P-Cu bridging bond induced 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. FeCu-NP-C activated peroxymonosulfate to selectively generate high-valent iron-oxo species at a concentration of 5.80 × 10 − 5 mM, which was 100 times higher than that of Fe-NP-C. Remarkably, the FeCu-NP-C membrane reactor achieved a treatment capacity of 500 L of wastewater per gram of catalyst over 100 h, at an operational cost of US$0.055 per ton. This work provides deep insights into the bridge-mediated orbital interactions of DACs for water decontamination.
SN  - 2041-1723
ER  -