Order and disorder in NMC layered materials: a FAULTS simulation analysis

被引：12

作者：

Reynaud, Marine ^{[1
]}

Casas-Cabanas, Montse ^{[1
]}

机构：

[1] CIC Energigune, Parque Tecnol Alava,Albert Einstein 48, Minano 01510, Spain

来源：

POWDER DIFFRACTION | 2017年 / 32卷

关键词：

X-ray powder diffraction; neutron powder diffraction; electron diffraction; diffuse scattering; stacking faults; layered materials; FAULTS; DIFFaX; battery materials; layered oxide; CATHODE MATERIALS; CATION DISORDER; LITHIUM; LICO1/3NI1/3MN1/3O2; DIFFRACTION; CRYSTAL;

D O I：

10.1017/S0885715617000033

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The program FAULTS has been used to simulate the X-ray powder diffraction (XRD), neutron powder diffraction (NPD), and electron diffraction (ED) patterns of several structural models for LiNi1/3Mn1/3Co1/3O2, including different types of ordering of the transition metal (TM) cations in the TM slabs, different amounts of Li+/NiII+ cation mixing and different amounts of stacking faults. The results demonstrate the relevance of the structural information provided by NPD and ED data as compared with XRD to characterize the microstructure of NMC (LiNi1-y-zMnyCozO2) compounds. (C) 2017 International Centre for Diffraction Data.

引用

页码：S213 / S220

页数：8

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