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Updated: Jun 18, 2026
10:03
Characterization of Electrode Materials for Lithium Ion and Sodium Ion Batteries Using Synchrotron Radiation Techniques
Published on: November 11, 2013
First-principles study on the stabilization of P2-Na2/3Ni1/3Mn2/3O2 by lithium doping
Yao Jiang1,2, Yipu Zhang3, Zishen Wang3
1School of Materials Science and Engineering, Chongqing University, Chongqing 400044, China. lixinlu@cqu.edu.cn.
Physical Chemistry Chemical Physics : PCCP
|June 17, 2026
Summary
Lithium doping stabilizes layered oxide cathodes for sodium-ion batteries by altering phase transitions and improving structural integrity. This enhances cycling stability but requires careful control of sodium extraction to prevent side reactions.
Area of Science:
- Materials Science
- Electrochemistry
- Computational Chemistry
Background:
- Layered oxide cathode materials are crucial for sodium-ion batteries.
- Rapid capacity fade limits their practical application.
- Lithium doping is a potential strategy to improve stability, but mechanisms are unclear.
Purpose of the Study:
- Investigate the effects of lithium doping on P2-NaxNi1/3Mn2/3O2.
- Elucidate the mechanisms behind improved cycling stability.
- Understand phase transitions and surface property changes.
Main Methods:
- First-principles calculations.
- Systematic investigation of Li doping effects.
- Analysis of charge-discharge processes.
Main Results:
- Li doping elevates operating voltage and stabilizes the layered structure.
- Phase transition pathway shifts from P2 → O2 to P2 → OP4.
- Li migration acts as a structural pillar, and Na+/vacancy ordering is disrupted, promoting solid-solution behavior.
- Oxygen redox activation and reduced electrostatic repulsion observed.
Conclusions:
- Li doping enhances cycling stability in layered oxide cathodes.
- Stabilized structure, altered phase transitions, and disrupted ordering are key factors.
- Potential for interfacial side reactions due to surface oxygen oxidizability necessitates controlled sodium extraction.
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