Precise construction of symmetrically coordinated triatomic zirconium catalyst for efficient oxygen reduction
Anaer Husile1, Tianmi Tang1, Liyuan Xiao1
1Institute of Physical Chemistry, National Demonstration Center for Experimental Chemistry Education, College of Chemistry, Jilin University 2519 Jiefang Road Changchun 130021 China wzl@jlu.edu.cn guanjq@jlu.edu.cn.
Chemical Science
|May 4, 2026
Summary
Researchers developed a new triatomic catalyst (TAC) using zirconium for oxygen reduction reactions (ORR) in zinc-air batteries (ZABs). This advanced catalyst significantly enhances battery efficiency and stability, paving the way for commercial viability.
Area of Science:
- Materials Science
- Electrochemistry
- Catalysis
Background:
- Efficient and stable electrocatalysts are crucial for commercializing zinc-air batteries (ZABs).
- Oxygen reduction reaction (ORR) performance is often limited by catalyst stability and efficiency.
- Triatomic catalysts (TACs) offer tunable electronic structures for optimizing catalytic activity.
Purpose of the Study:
- To synthesize and evaluate a novel triatomic catalyst (TAC) for the oxygen reduction reaction (ORR).
- To investigate the potential of zirconium-based TACs for enhancing zinc-air battery (ZAB) performance.
- To understand the mechanism behind the improved ORR activity in TACs.
Main Methods:
- Synthesis of a Zr3/NG catalyst with Zr3O1N6 active sites using Joule heating.
- Electrochemical characterization of the catalyst for ORR performance, including half-wave potential (E1/2) measurements.
- Testing of ZAB devices incorporating the Zr3/NG catalyst to assess power density and long-term stability.
- Theoretical calculations to elucidate the electronic structure and catalytic mechanism.
Main Results:
- The synthesized Zr3/NG catalyst exhibited a high half-wave potential (E1/2) of 0.857 V, outperforming single-atom catalysts and commercial Pt/C.
- ZABs utilizing Zr3/NG achieved a peak power density of 164.3 mW cm-2 and maintained stable operation for over 175 hours.
- Theoretical analysis indicated that the Zr3O1N6 active sites optimize oxygen intermediate adsorption by modifying the d-band center and promoting O-O bond cleavage.
Conclusions:
- The study successfully developed a highly efficient and stable triatomic zirconium catalyst (Zr3/NG) for ORR.
- The synergistic effect of triatomic zirconium active centers significantly enhances ORR performance in ZABs.
- This research provides insights into designing advanced electrocatalysts by tuning metal atom coordination for energy storage applications.
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