掺杂剂
阴极
溶解
材料科学
兴奋剂
离子
磷酸盐
电导率
电极
化学工程
密度泛函理论
动力学
无机化学
化学
光电子学
物理化学
计算化学
有机化学
工程类
物理
量子力学
作者
Wei Zhang,Yulun Wu,Yuhang Dai,Zhenming Xu,Huihui Liang,Li Zheng,Shihao Li,Ruwei Chen,Xuan Gao,Wei Xing Zong,Fei Guo,Jiexin Zhu,Haobo Dong,Jianwei Li,Chumei Ye,Simin Li,Feixiang Wu,Zhian Zhang,Guanjie He,Yanqing Lai,Ivan P. Parkin
出处
期刊:Chemical Science
[The Royal Society of Chemistry]
日期:2023-01-01
卷期号:14 (32): 8662-8671
被引量:7
摘要
High-voltage cathodes with high power and stable cyclability are needed for high-performance sodium-ion batteries. However, the low kinetics and inferior capacity retention from structural instability impede the development of Mn-rich phosphate cathodes. Here, we propose light-weight fluorine (F) doping strategy to decrease the energy gap to 0.22 eV from 1.52 eV and trigger a "Mn-locking" effect-to strengthen the adjacent chemical bonding around Mn as confirmed by density functional theory calculations, which ensure the optimized Mn ligand framework, suppressed Mn dissolution, improved structural stability and enhanced electronic conductivity. The combination of in situ and ex situ techniques determine that the F dopant has no influence on the Na+ storage mechanisms. As a result, an outstanding rate performance up to 40C and an improved cycling stability (1000 cycles at 20C) are achieved. This work presents an effective and widely available light-weight anion doping strategy for high-performance polyanionic cathodes.
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