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Boosting Zinc-Air Battery Performance by Regulating Pd Single-Atom Coordination via Thermal-Driven Migration.
Xin Xu1, Jingyi Tian1, Binbin Zhao1
1State Key Laboratory of Coordination Chemistry and Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, China.
ACS Applied Materials & Interfaces
|March 30, 2026
Summary
This study presents a new palladium single-atom catalyst (SAC) for metal-air batteries. The reconstructed catalyst demonstrates superior oxygen reduction and evolution reactions, leading to enhanced battery performance and durability.
Area of Science:
- Materials Science
- Electrochemistry
- Catalysis
Background:
- Palladium (Pd) catalysts are active in metal-air batteries but face challenges in efficiency, durability, and cost.
- Developing advanced electrocatalysts is crucial for improving energy storage devices.
Purpose of the Study:
- To reconstruct a highly efficient and durable palladium single-atom catalyst (SAC) for oxygen reduction (ORR) and oxygen evolution (OER) reactions.
- To investigate the structure-performance relationship of Pd SACs in alkaline media.
- To evaluate the performance of the developed catalyst in zinc-air batteries.
Main Methods:
- Reconstruction of Pd SACs with in-plane PdNxC4-x moieties on hierarchical N-doped carbon nanocages (Pd1/hNCNC-800).
- Electrochemical characterizations and in situ Raman spectroscopy to study ORR and OER mechanisms.
- Fabrication and testing of zinc-air batteries using the developed catalyst.
Main Results:
- Pd1/hNCNC-800 exhibited dominant four-electron pathways for ORR and OER with outstanding activity and stability.
- The corresponding zinc-air battery achieved a maximum power density of 214.4 mW cm⁻², a specific capacity of 810.7 mAh gZn⁻¹, and over 600 h cycle life.
- Theoretical calculations confirmed that multiple PdNxC4-x moieties enhance catalytic processes and prevent Pd atom migration.
Conclusions:
- The reconstructed Pd SAC (Pd1/hNCNC-800) significantly outperforms existing catalysts for metal-air batteries.
- The study establishes a correlation between the coordination structure of Pd SACs and their ORR/OER performance.
- Findings provide valuable guidance for designing advanced catalysts for energy applications.

