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Phase Transition Regulation Via Multi-Scale Structural Engineering Toward Robust Single-Crystalline Na-Layered Oxide
Shihao Li1, Yuhang Zhang1, Fangyan Liu2
1School of Metallurgy and Environment, Engineering Research Center of the Ministry of Education for Advanced Battery Materials, Hunan Provincial Key Laboratory of Nonferrous Value-Added Metallurgy, Central South University, Changsha, P. R. China.
Small (Weinheim an Der Bergstrasse, Germany)
|July 20, 2026
Summary
Single-crystalline cathode materials for sodium-ion batteries (SIBs) show improved performance. Cu/Zr co-doping enhances structural integrity and electrochemical kinetics, enabling stable cycling.
Area of Science:
- Materials Science
- Electrochemistry
- Energy Storage
Background:
- Single-crystalline O3-type NaNi1/3Fe1/3Mn1/3O2 (S-NFM) is a potential cathode for sodium-ion batteries (SIBs).
- S-NFM faces challenges due to long Na+ diffusion paths and slow kinetics, leading to heterogeneous reactions and structural degradation.
- This limits its practical application in high-performance SIBs.
Purpose of the Study:
- To enhance the electrochemical performance and structural stability of S-NFM cathodes.
- To address the limitations of sluggish kinetics and structural failure in S-NFM through multi-scale structural engineering.
- To develop a Cu/Zr co-doped S-NFM material (S-NFMCZ) for advanced SIBs.
Main Methods:
- Synthesized Cu/Zr co-doped single-crystalline NaNi0.3Fe0.3Mn0.3Cu0.05Zr0.05O2 (S-NFMCZ) via multi-scale structural engineering.
- Optimized single-crystalline grain structure and reinforced the lattice.
- Investigated Na+ diffusion path, kinetics, redox activity, and TM-O bond covalency.
Main Results:
- S-NFMCZ demonstrated a shortened Na+ diffusion path and enhanced diffusion kinetics.
- Improved redox reaction activity and increased covalency of transition metal-oxygen bonds were observed.
- Significantly enhanced spatial homogeneity of phase transition and effective buffering of lattice variations by the O'3 intermediate phase.
- Suppressed chemo-mechanical degradation, leading to excellent electrochemical kinetics and cycling stability.
Conclusions:
- The Cu/Zr co-doping strategy effectively mitigates structural degradation and improves electrochemical performance in single-crystalline S-NFM cathodes.
- S-NFMCZ exhibits a high discharge specific capacity (62.9 mAh g-1 at 10 C) and superior capacity retention (78.2% after 500 cycles at 1 C).
- This research provides valuable insights for designing high-performance single-crystalline Na-layered oxides for advanced sodium-ion batteries.
