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Carbon-Vacancy-Induced Fe Coordination Modulation in FeZn Dual-Atom Sites for Enhanced Bifunctional Oxygen Electrocatalysis

delete2026-06-13
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PRE
AI
Y
Yu Bai
Y
Yingbi Chen
Y
Yuchao Wang
P
Peiyao Yang
H
Haitao Zheng
M
Meng Wang
刘维 cover
刘维 (Wei Liu)
方国赵 (Guozhao Fang)
熊玉 (Yu Xiong)
Q
Qichen Wang
M
Maozhong Yi
雷永鹏 (Yongpeng Lei) *
DOI:10.1021/acs.nanolett.6c02108delete
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Abstract

Abstract

En 中文
Precisely modulating the coordination structure of neighboring metal atomic sites is urgently required yet remains technically challenging. Herein, we report a carbon-vacancy-induced Fe coordination environment modulation in FeZn dual-atom sites (FeZnN6-VC) to boost bifunctional oxygen electrocatalysis. Finite element simulation and electronic structure characterization reveal that carbon vacancies promote electron transfer from Fe–N4 to neighboring Zn–N4 sites, establishing favorable electronic interactions. In situ Raman spectroscopy further identifies the key O–O– intermediate (corresponding to OOH*) and the FeOOH active phase during oxygen evolution reaction (OER), both showing significantly lowered onset potentials. Compared with conventional FeZn dual-atom catalysts, FeZnN6-VC achieves a 174 mV decrease in OER overpotential at 10 mA cm–2 and exhibits improved oxygen reduction reaction performance in alkaline media. The corresponding quasi-solid-state Zn–air battery delivers a long cycling life of 82.3 h at 50 mA cm–2. This work offers a versatile carbon-vacancy strategy to tune the local coordination of dual-atomic sites for advanced electrocatalysis.
Keywords:
Batteries
Catalysts
Electrocatalysts
Oxygen
Redox reactions
FeZn dual-atom sites
carbon vacancy
coordination structure
oxygen electrocatalysis
Zn−air batteries

Journal

Nano Letters cover
Nano Letters
IF:
9.1
Papers:
2.7W
Citations:
16.5W

Organization

C
central south university
Scholars:
1.7W
Papers: 5.0K
Citations: 3
N
northwestern polytechnical university
Scholars:
1.0W
Papers: 3.8K
Citations: 0
D
Dalian University of Technology
Scholars:
5.7W
Papers: 4.3W
Citations: 5.5W
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