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Updated: Jun 9, 2026

Protocol of Electrochemical Test and Characterization of Aprotic Li-O2 Battery
Published on: July 12, 2016
Mechanistic Insights into Oxygen Release from Layered Oxide Cathodes for Reliable Sodium-Ion Batteries
Toshiya Takuwa1, Masataka Yoshimoto2, Yuta Kimura3
1Graduate School of Engineering, Nagoya University, Nagoya, Japan.
Abstract:
Oxygen release from cathode materials is a serious atomistic-scale problem causing thermal runaway of rechargeable batteries. Understanding the mechanism of oxygen release and establishing design principles for robust cathode materials are crucial for the practical implementation of sodium-ion batteries (SIBs). Herein, it is successful, for the first time, to the elucidate mechanism of oxygen release from SIB cathode Na2/3Ni1/3Mn2/3O2 by combining experimental and theoretical studies and to provide evidences for the superior stability of SIBs. Coulometric titration, X-ray absorption spectroscopy and defect-chemical/thermodynamic analyses reveal that the oxygen release energy of Na2/3Ni1/3Mn2/3O2 is approximately 1.7 eV which is higher than those of high-Ni lithium-ion battery cathodes. Density functional theory calculations strongly suggest that high-valent Ni formed by Na-deficiency destabilizes lattice oxygen in Na2/3Ni1/3Mn2/3O2 and facilitates oxygen release. The combined experimental and theoretical study presented here enables a deeper mechanistic understanding of oxygen release from cathode materials and offers valuable design insights for next-generation batteries.
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