无机材料学报 ›› 2023, Vol. 38 ›› Issue (6): 589-605.DOI: 10.15541/jim20220331 CSTR: 32189.14.10.15541/jim20220331

所属专题: 【能源环境】锂离子电池(202409)

• 综述 •    下一篇

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()   

  1. 南开大学 化学学院, 先进能源材料化学教育部重点实验室, 新能源转化与存储交叉科学中心, 天津 300071
  • 收稿日期:2022-06-14 修回日期:2022-12-28 出版日期:2023-01-11 网络出版日期:2023-01-11
  • 通讯作者: 陈军,教授. E-mail: chenabc@nankai.edu.cn
  • 作者简介:杨卓(1993-), 男, 博士研究生. E-mail: yzhuo94@outlook.com.
  • 基金资助:
    国家自然科学基金(22121005);国家自然科学基金(22109075);国家自然科学基金(22020102002);国家自然科学基金(21835004)

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

YANG Zhuo(), LU Yong, ZHAO Qing, CHEN Jun()   

  1. Renewable Energy Conversion and Storage Center (RECAST), Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin 300071, China
  • Received:2022-06-14 Revised:2022-12-28 Published:2023-01-11 Online:2023-01-11
  • Contact: CHEN Jun, professor. E-mail: chenabc@nankai.edu.cn
  • About author:YANG Zhuo (1993-), male, PhD candidate. E-mail: yzhuo94@outlook.com.
  • Supported by:
    National Natural Science Foundation of China(22121005);National Natural Science Foundation of China(22109075);National Natural Science Foundation of China(22020102002);National Natural Science Foundation of China(21835004)

摘要:

2022年是X射线衍射(XRD)发现的110周年。XRD Rietveld精修作为材料结构分析的重要手段, 在建立材料“构-效”关系方面发挥着重要的作用。正极材料是锂离子电池的重要组成部分, 深入理解其晶体结构及原子分布规律有助于推动锂离子电池正极材料的发展。本文简要介绍了XRD Rietveld结构精修及其在锂离子电池正极材料中的应用, 围绕几类典型正极材料, 重点讨论了Rietveld结构精修在正极材料的合成、退化衰减及结构改性中的应用和研究进展。XRD Rietveld精修可以得到物相比例、晶胞参数、关键原子占比、原子坐标等结构信息, 对开发高性能锂离子电池正极材料具有重要的指导意义。最后, 本文展望了X射线衍射技术在锂电正极材料结构研究中的机遇与挑战。

关键词: X射线衍射, Rietveld精修, 锂离子电池, 正极材料, 综述

Abstract:

2022 marks the 110th anniversary of X-ray diffraction (XRD), which is a powerful technique used to find out the nature of materials. Rietveld refinement method, as an important means of extracting material structure information, plays a significant role in establishing the relationship between structure and performance of materials. Cathode materials are a vital part of lithium-ion batteries (LIBs). In-depth understanding of their crystal structure and atomic distribution is extremely helpful to promote the development of cathode materials for LIBs. Cathode materials for LIBs are generally the hosts of lithium. Studies on lithium occupation and transfer are inseparable from a deep understanding of its structural characteristics. This review summarizes XRD Rietveld structure refinement and its application in cathode materials for LIBs. XRD Rietveld structure refinement in synthesis, degradation, and structural modification of cathode materials are analyzed by using several types of typical cathode materials as examples. XRD Rietveld method could provide useful structural information of the cathode materials, including phase ratio in composite and crystallographic parameters (e.g., cell parameters, key atomic occupation, and atomic coordinates). Therefore, exploring structure of cathode materials assisted with XRD Rietveld refinement method is of great significance for the development of high-performance cathode materials for LIBs. Finally, the opportunities and challenges in the field of X-ray diffraction technology in detecting structure of cathode materials for LIBs are prospected.

Key words: X-ray diffraction, Rietveld refinement, lithium-ion battery, cathode material, review

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