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Updated: May 13, 2026

Surface Functionalization of Metal-Organic Frameworks for Improved Moisture Resistance
Published on: September 5, 2018
Dual modulation of the FeN4 electronic structure by axial F-coordination and second-shell P-doping for enhanced
Qingmeng Guo1, Lili Fan1, Zhanning Liu2
1Shandong Key Laboratory of Intelligent Energy Materials, School of Materials Science and Engineering, China University of Petroleum (East China), Qingdao 266580, PR China.
Atomically dispersed Fe-N-C catalysts show promise for oxygen reduction reactions (ORR). A new dual modulation strategy using fluorine and phosphorus enhances ORR activity and stability, outperforming platinum catalysts.
Area of Science:
- Electrochemistry
- Materials Science
- Catalysis
Background:
- Atomically dispersed Fe-N-C materials are promising for oxygen reduction reaction (ORR) catalysis.
- Their performance is often limited by symmetric electron distribution in planar structures.
Purpose of the Study:
- To enhance ORR performance by modulating the FeN4 motif.
- To investigate the effect of simultaneous axial F-coordination and second-shell P doping.
Main Methods:
- Synthesis of a novel Fe-NPFC catalyst.
- Electrochemical evaluation of ORR activity in alkaline electrolyte.
- Testing as a cathode in zinc-air batteries.
- Density functional theory (DFT) calculations.
Main Results:
- The Fe-NPFC catalyst exhibited exceptional ORR activity (0.927 V vs. RHE) and robust stability.
- It outperformed commercial 20 wt% Pt/C in both ORR and zinc-air battery applications.
- DFT calculations confirmed synergistic electronic structure optimization by F and P.
Conclusions:
- Dual modulation via axial F-coordination and second-shell P doping is an effective strategy for enhancing single-atom catalyst performance.
- This approach offers a viable route for developing advanced ORR catalysts.
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