X射线衍射Rietveld精修及其在锂离子电池正极材料中的应用

杨卓, 卢勇, 赵庆, 陈军

X-ray Diffraction Rietveld Refinement and Its Application in Cathode Materials for Lithium-ion Batteries

YANG Zhuo, LU Yong, ZHAO Qing, CHEN Jun

表1 常见的锂离子电池正极材料的结构及性能^{[24⇓⇓⇓-28]}

Table 1 Structures and properties of common cathode materials for lithium-ion batteries^{[24⇓⇓⇓-28]}

Cathode material	Crystal structure	Space group	Cell parameter	Atom site		Theoretical specific capacity/(mAh·g^-1)	Working voltage/ V (vs. Li⁺/Li)
LiFePO₄	Olivine	Pnma	a≠b≠c	Li	4a	170	3.4
				Fe	4c
				O	4c/8d
LiMn₂O₄	Spinel	Fd-3m	a=b=c	Li	8a	148	4
				Mn	16d
				O	32e
LiCoO₂	Layer	R-3m	a=b≠c	Li	3a	274	3.9
				Co	3b
				O	6c
LiNi_xCo_y(Mn/Al)_1-_x_-_yO₂	Layer	R-3m	a=b≠c	Li	3a	273-285	3.8
				Ni/Co/Mn/Al	3b
				O	6c
xLi₂MnO₃·(1-x)LiMO₂ (0<x<1, M=Ni, Co, Mn)	Layer	R-3m+ C2/m	a=b≠c	Li	2b/2c/4h	273-350	3.8
				Mn	4g
				O	4i/4j