锂电池研究中的X射线多晶衍射实验与分析方法综述

摘要

X射线多晶衍射技术是研究晶体结构的重要手段, 通过对衍射数据的分析, 能够得到材料的晶胞参数、原子占位、晶粒大小、晶粒取向、应力分布等信息, 对研究材料结构与性能之间的关系具有重要意义.在锂离子电池研究领域, X射线衍射技术广泛应用于材料合成、电芯检测及失效分析中的物相检测, 极大地推动了电池材料的进步与发展.本文主要介绍了X射线多晶衍射基本原理与实验方法、测试过程常用参数设置、数据处理与结构精修方法, 并结合实例介绍了X射线衍射技术在研究锂离子电池材料结构演化、反应机制、安全性能等方面的应用.%Polycrystalline X-ray diffraction is an important tool to study the crystal structure of the material. Through analysis of the diffraction data, the structural parameters, e.g. lattice parameters, atomic site, grain size, grain orientation and stress distribution, can be retrieved, providing crucial information for studying relationship between structure and performance. This review briefly introduces the fundamental principles and experimental measurement methods and the commonly used Rietveld refinement method of polycrystalline X-ray diffraction. The applications of polycrystalline X-ray diffraction on study of lithium batteries are also discussed.