Yuxi Luo, Xiaoyu Gao, Mingjie Dong, Tao Zeng, Ziwei Chen, Maolin Yang, Zhongyuan Huang, Rui Wang, Feng Pan*, Yinguo Xiao*

Cite this article: Chin. J. Struct. Chem., 2023, 42: 100032. DOI: 10.1016/j.cjsc.2023.100032

Publication date: May 15, 2023

Keywords: Neutron diffraction; Lithium-ion battery; Cathode and anode materials; In operando characterization

ABSTRACT

As a unique microprobe for structure and dynamics of materials, neutron possesses superior ability in penetration as well as sensitivity for light and magnetic elements in comparison with X-ray and electron. As for the research and development of lithium-ion batteries (LIBs), neutron diffraction techniques play an indispensable role in exploring the structural properties of various electrode materials, especially the detailed structural evolution of cathode and anode materials during electrochemical cycling. Moreover, based on thorough analysis of neutron diffraction results, an in-depth and systematic understanding of some fundamental mechanisms, such as the formation mechanism of defects and migration mechanism of lithium ions, could also be established, which is essential for the development of high-performance electrode materials for the next-generation LIBs. Nevertheless, that technique would not seem to be widely applied yet in comparison with the application of X-ray diffraction and more attention should be paid. To demonstrate the advantages of neutron diffraction technique in research of LIBs materials, this work systematically summarizes representative neutron diffraction studies on exploring structural details hidden in electrode materials and on probing structural evolution of electrode materials during charge/discharge processes. Prospects for further applications of neutron diffraction techniques in research of LIBs are also put forward.