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De-clustered Nonbonding Oxygen State Inhibits Oxygen Dimerization for Highly Activated and Stable Anionic Redox in Sodium-Based Layered Cathodes

Na Li,Enyue Zhao,Zhigang Zhang,Wen Yin,Bao-Tian Wang,Xiaoling Xiao

Chemical Engineering Journal（2023）

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Abstract
•Coupling relations among ARR, nonbonding O 2p state and superstructure is revealed.•The de-clustered nonbonding O 2p state can inhibit the O dimerization.•The cathode with intact superstructure shows a highly activated and stable ARR.•An ultralow volume changes and a suppressed P2-P2′ phase transition is achieved.
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Key words
Sodium-ion batteries,Layered oxide cathode,Anionic redox reaction,Superstructure,O–O dimer
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