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Selective Facet Growth and Surface Reconstruction Achieving Structure-Robust High-Voltage LiCoO2
Zhenjie Zhang1,2, Yixin Li1,3, Chu Zhang1,2,4
1Key Laboratory for Renewable Energy, Chinese Academy of Sciences, Beijing Key Laboratory for New Energy Materials and Devices, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China.
ACS Nano
|April 21, 2026
Summary
Surface defects degrade battery performance. This study stabilizes high-voltage lithium cobalt oxide (HV-LCO) cathodes by engineering crystal facets, enhancing cyclability and performance in secondary batteries.
Area of Science:
- Materials Science
- Electrochemistry
- Solid State Chemistry
Background:
- Surface defects in layered oxide cathode materials degrade bulk structure and Li+ diffusion channels, impairing secondary battery performance.
- High-voltage cathode materials require intrinsically stable surface structures to maintain performance during cycling.
Purpose of the Study:
- To develop a strategy for stabilizing high-voltage lithium cobalt oxide (HV-LCO) by regulating crystal facets and surface reconstruction.
- To improve the cyclability and performance of HV-LCO by suppressing surface degradation and maintaining Li+ diffusion channels.
Main Methods:
- Utilizing a LiCl molten salt treatment to reconstruct the surface of HV-LCO.
- Employing first-principles calculations, structural characterization, and electrochemical testing.
- Regulating crystal facets through selective growth and passivation.
Main Results:
- Successfully formed stable surface structures with inactive (003) and passivated (010) facets.
- Suppressed oxygen loss and structural degradation up to 4.6 V, stabilizing Li+ diffusion channels.
- Prevented CoO6 slab gliding and phase transitions, ensuring structural integrity at deep delithiation states.
Conclusions:
- A strong correlation exists between specific surface facets and suppressed structural degradation.
- Surface facet engineering is crucial for enhancing the performance and stability of high-voltage cathode materials.
- This approach provides insights for designing advanced cathode materials for secondary batteries.
