衰退
可扩展性
电化学
电压
阴极
化学物理
材料科学
阳极
氧化物
密度泛函理论
光电子学
拓扑(电路)
分析化学(期刊)
纳米技术
化学
化学工程
计算机科学
物理
电极
计算化学
电气工程
物理化学
电信
数据库
工程类
量子力学
解码方法
色谱法
冶金
作者
Zhan Lin,Dehan Luo,Huixian Xie,Fulin Tan,Xiaoxia Ding,Jiaxiang Cui,Xiaoyan Xie,Chenyu Liu
标识
DOI:10.1002/anie.202203698
摘要
Capacity fading and voltage decay is one of the biggest obstacles for the practical application of Li-rich layered oxides due to the serious surface-related detrimental reactions. Herein, we develop a versatile and scalable method to construct a robust surface-integrated structure. All the designed samples deliver outstanding capacity and voltage stability, among which the Zn-treated sample possesses the best electrochemical performance. Its capacity retention is larger than 90 % after 400 cycles with a voltage decay ratio as small as 0.73 mV per cycle. What is more, the rules of surface-integrated structure with different cations in terms of capacity and voltage stability is further deciphered by combining with density function theory (DFT) calculations. It is found that to obtain advanced Li-rich layered oxide cathodes, cations in Li-sites should firstly ensure the binding energy of the surface-integrated structure in a lower level and then provide Bader charge for the nearest O atoms as small as possible.
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