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Oxygen Electronic Configuration Modulation Triggering Reversible Anionic Redox Chemistry toward High Voltage Tolerant
Yi Zhang1, Jie Li1, Shihao Li1
1School of Metallurgy and Environment, Central South University, Changsha, Hunan 410083, P. R. China.
Nano Letters
|July 1, 2026
Summary
Researchers enhanced sodium-ion battery cathodes by modulating electronic configurations. This strategy boosts specific capacity and cycling stability through reversible anionic redox reactions, improving battery performance.
Area of Science:
- Materials Science
- Electrochemistry
- Energy Storage
Background:
- O3-type NaNi1/3Fe1/3Mn1/3O2 layered oxides are promising low-cost cathodes for sodium-ion batteries (SIBs).
- Insufficient specific capacity and challenges in balancing capacity with cycling stability hinder their practical application.
- Elevating charging cutoff voltage can trigger anionic redox reactions (ARR) to boost capacity, but often compromises stability.
Purpose of the Study:
- To develop a strategy for simultaneously enhancing specific capacity and cycling stability in O3-type layered oxide cathodes.
- To investigate the role of electronic configuration modulation in activating and stabilizing reversible anionic redox reactions.
- To mitigate detrimental phase transitions during deep desodiation in SIBs.
Main Methods:
- Utilizing a Na-O-Mg/Ti electronic configuration modulation strategy.
- Investigating the effects of tailored electronic configurations on σ and π hybridization.
- Analyzing the activation of lattice oxygen for charge compensation and regulation of oxygen oxidation depth.
- Evaluating the reversibility of anionic redox reactions and their impact on material stability.
Main Results:
- The Na-O-Mg/Ti configuration successfully weakened σ hybridization and enhanced π hybridization.
- This modulation activated more lattice oxygen for charge compensation and improved oxygen redox reversibility.
- Reversible anionic redox reactions were achieved, alleviating O-O repulsion and mitigating detrimental phase transitions.
- The modified material exhibited a synergistic enhancement in both specific capacity and cycling stability.
Conclusions:
- The proposed electronic configuration modulation strategy effectively enhances both capacity and cycling stability in O3-type cathodes.
- Reversible anionic redox reactions, driven by tailored electronic structures, are key to overcoming limitations in SIB cathode materials.
- This approach shows significant potential for developing high-performance, low-cost sodium-ion batteries.
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