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Updated: Oct 15, 2025

Development of Heterogeneous Enantioselective Catalysts using Chiral Metal-Organic Frameworks MOFs
Published on: January 17, 2020
Metal-Triazolate-Framework-Derived FeN4 Cl1 Single-Atom Catalysts with Hierarchical Porosity for the Oxygen Reduction
Linyu Hu1, Chunlong Dai1, Liwei Chen1
1Key Laboratory of Cluster Science Ministry of Education, Beijing Key Laboratory of Photoelectronic/Electrophotonic Conversion Materials, Advanced Technology Research Institute (Jinan), School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, P. R. China.
We developed a novel single-atom catalyst (SAC) using metal-triazolate frameworks. This catalyst exhibits excellent oxygen reduction reaction activity, showing promise for zinc-air batteries.
Area of Science:
- Materials Science
- Electrochemistry
- Catalysis
Background:
- Single-atom catalysts (SACs) are crucial for efficient chemical reactions.
- Achieving high single-atom densities and optimal electronic structures remains a challenge.
- Metal-organic frameworks (MOFs), specifically metal-triazolates (METs), offer potential as precursors due to their high nitrogen content.
Purpose of the Study:
- To synthesize a highly dispersed single-atom catalyst with enhanced properties.
- To investigate the catalytic activity of the new material for oxygen reduction reactions (ORR).
- To explore the potential of the catalyst in energy storage applications like zinc-air batteries.
Main Methods:
- Utilized Zn/Fe-bimetallic MET frameworks modified with 4,5-dichloroimidazole as precursors.
- Pyrolysis of the modified MET framework to create a hierarchically porous N-doped carbon matrix.
- Characterization of the resulting Fe single atoms dispersed within the carbon matrix (FeN4Cl1/NC).
- Electrochemical testing for oxygen reduction reaction (ORR) activity in alkaline and acidic media.
- Density functional theory (DFT) calculations to understand the catalytic mechanism.
Main Results:
- Successfully synthesized Fe single atoms in a hierarchically porous N-doped carbon matrix (FeN4Cl1/NC) with high metal loading (2.78 wt%).
- The catalyst exhibited a high pore:volume ratio (0.92), indicating excellent mass transfer properties.
- FeN4Cl1/NC demonstrated outstanding ORR activity in both alkaline and acidic electrolytes.
- DFT calculations revealed that chlorine incorporation optimizes the adsorption of intermediates, enhancing ORR performance.
Conclusions:
- The developed FeN4Cl1/NC catalyst shows superior ORR activity, attributed to high single-atom density, favorable electronic structure, and efficient mass transfer.
- The strategy of using modified MET frameworks as precursors is effective for designing high-performance SACs.
- The catalyst holds significant promise for applications in rechargeable zinc-air batteries.

