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Unlocking Superior Na-Storage Kinetics and Structural Durability in Na2FePO4F via Local Coordination Engineering
Zhichao Li1,2, Ning Jiang1,2, Fuqiang Li3
1Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai, China.
Small (Weinheim an Der Bergstrasse, Germany)
|May 15, 2026
Summary
Local coordination environment engineering using ZnO4F2 units enhances sodium-ion battery performance. This strategy improves structural stability and ion diffusion in fluorophosphate cathode materials.
Area of Science:
- Materials Science
- Electrochemistry
- Solid-State Chemistry
Background:
- Sodium-ion batteries (SIBs) are attractive energy storage solutions due to abundant sodium resources.
- Fluorophosphate Na2FePO4F (NFPF) shows promise as an SIB cathode material but suffers from iron dissolution and slow sodium-ion diffusion.
- Overcoming these limitations is crucial for the practical application of NFPF in SIBs.
Purpose of the Study:
- To enhance the structural stability and electrochemical performance of Na2FePO4F cathode material for SIBs.
- To investigate the effect of local coordination environment engineering (LCE) on the properties of NFPF.
- To mitigate iron dissolution and improve sodium-ion kinetics through targeted material modification.
Main Methods:
- A rational design strategy involving local coordination environment engineering (LCE) was employed.
- Incorporation of strongly covalent Zn-O/F bonds to form robust ZnO4F2 units within the NFPF crystal framework.
- Combined theoretical calculations and experimental characterization (e.g., electrochemical testing, structural analysis) were utilized.
Main Results:
- The engineered ZnO4F2 units acted as structural pillars, stabilizing the NFPF framework and reducing lattice strain during cycling.
- The modification effectively tailored the local electronic structure, lowered the bandgap, and significantly reduced the Na+ migration barrier.
- Optimized Na2Fe0.94Zn0.06PO4F (NFZPF-6) cathode exhibited a high capacity (114.9 mAh g-1), excellent rate capability (71.2 mAh g-1 at 20C), and superior long-term cyclability (85.5% retention after 1000 cycles at 10C).
Conclusions:
- Local coordination environment engineering via ZnO4F2 incorporation is an effective strategy to enhance the performance of polyanionic cathode materials.
- This approach successfully suppresses transition metal dissolution and improves Na+ diffusion kinetics in NFPF.
- The findings provide a new paradigm for designing advanced cathode materials for high-performance sodium-ion batteries.
