Unraveling the Correlation between Structure and Lithium Ionic Migration of Metal Halide Solid-State Electrolytes via Neutron Powder Diffraction

被引：6
作者：
Zhang, Hao [1 ]
Xu, Feilong [1 ]
Chen, Xingyu [1 ,2 ]
Xia, Wei [3 ]
机构：
[1] Univ Sci & Technol Beijing, Sch Met & Ecol Engn, Beijing 100083, Peoples R China
[2] Univ Sci & Technol Beijing, Sch Energy & Environm Engn, Beijing 100083, Peoples R China
[3] Eastern Inst Technol, Eastern Inst Adv Study, Ningbo 315201, Peoples R China
来源：
BATTERIES-BASEL | 2023年 / 9卷 / 10期
基金：
中国国家自然科学基金;
关键词：
solid-state electrolytes (SSEs); metal halides; neutron powder diffraction (NPD); structure; ionic conductivity; migration behavior; SUPERIONIC CONDUCTOR; STABILITY; LI; COMPATIBILITY;
D O I：
10.3390/batteries9100510
中图分类号：
O646 [电化学、电解、磁化学];
学科分类号：
081704 ;
摘要：
Metal halide solid-state electrolytes (SSEs) (Li-M-X system, typically Li3MX6 and Li2MX4; M is metal or rare-earth element, X is halogen) exhibit significant potential in all solid-state batteries (ASSB) due to wide stability windows (0.36-6.71 V vs. Li/Li+), excellent compatibility with cathodes, and a water-mediated facile synthesis route for large-scale fabrication. Understanding the dynamics of Li+ transportation and the influence of the host lattice is the prerequisite for developing advanced Metal halide SSEs. Neutron powder diffraction (NPD), as the most cutting-edge technology, could essentially reflect the nuclear density map to determine the whole crystal structure. Through NPD, the Li+ distribution and occupation are clearly revealed for transport pathway analysis, and the influence of the host ion lattice on Li+ migration could be discussed. In this review, we stress NPD utilization in metal halide SSEs systems in terms of defect chemistry, phase transition, cation/anion disorder effects, dual halogen, lattice dynamics/polarizability, and in situ analysis of phase evolution. The irreplaceable role of NPD technology in designing metal halide SSEs with enhanced properties is stressed, and a perspective on future developments of NPD in metal halide SSEs is also presented.
引用
收藏
页数：27
相关论文
共 68 条
[1]   Solid Halide Electrolytes with High Lithium-Ion Conductivity for Application in 4 V Class Bulk-Type All-Solid-State Batteries [J].
Asano, Tetsuya ;
Sakai, Akihiro ;
Ouchi, Satoru ;
Sakaida, Masashi ;
Miyazaki, Akinobu ;
Hasegawa, Shinya .
ADVANCED MATERIALS, 2018, 30 (44)
[2]   Inorganic Solid-State Electrolytes for Lithium Batteries: Mechanisms and Properties Governing Ion Conduction [J].
Bachman, John Christopher ;
Muy, Sokseiha ;
Grimaud, Alexis ;
Chang, Hao-Hsun ;
Pour, Nir ;
Lux, Simon F. ;
Paschos, Odysseas ;
Maglia, Filippo ;
Lupart, Saskia ;
Lamp, Peter ;
Giordano, Livia ;
Shao-Horn, Yang .
CHEMICAL REVIEWS, 2016, 116 (01) :140-162
[3]  
Bacon G. E., 1975, NEUTRON DIFFRACTION
[4]   Interfaces and Interphases in All-Solid-State Batteries with Inorganic Solid Electrolytes [J].
Banerjee, Abhik ;
Wang, Xuefeng ;
Fang, Chengcheng ;
Wu, Erik A. ;
Meng, Ying Shirley .
CHEMICAL REVIEWS, 2020, 120 (14) :6878-6933
[5]   Ternary halides of the A(3)MX(6) type .6. Ternary chlorides of the rare-earth elements with lithium, Li3MCl6 (M=Tb-Lu, Y, Sc): Synthesis, crystal structures, and ionic motion [J].
Bohnsack, A ;
Stenzel, F ;
Zajonc, A ;
Balzer, G ;
Wickleder, MS ;
Meyer, G .
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 1997, 623 (07) :1067-1073
[6]   Garnet Electrolytes for Solid State Batteries: Visualization of Moisture-Induced Chemical Degradation and Revealing Its Impact on the Li-Ion Dynamics [J].
Brugge, Rowena H. ;
Hekselman, A. K. Ola ;
Cavallaro, Andrea ;
Pesci, Federico M. ;
Chater, Richard J. ;
Kilner, John A. ;
Aguadero, Ainara .
CHEMISTRY OF MATERIALS, 2018, 30 (11) :3704-3713
[7]   High magnesium mobility in ternary spinel chalcogenides [J].
Canepa, Pieremanuele ;
Bo, Shou-Hang ;
Gautam, Gopalakrishnan Sai ;
Key, Baris ;
Richards, William D. ;
Shi, Tan ;
Tian, Yaosen ;
Wang, Yan ;
Li, Juchuan ;
Ceder, Gerbrand .
NATURE COMMUNICATIONS, 2017, 8
[8]   SoftBV - a software tool for screening the materials genome of inorganic fast ion conductors [J].
Chen, Haomin ;
Wong, Lee Loong ;
Adams, Stefan .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2019, 75 (01) :18-33
[9]   Improved stability against moisture and lithium metal by doping F into Li3InCl6 [J].
Chen, Xin ;
Jia, Zhiqing ;
Lv, Hanmei ;
Wang, Chenggong ;
Zhao, Ning ;
Guo, Xiangxin .
JOURNAL OF POWER SOURCES, 2022, 545
[10]   Designing Ionic Conductors: The Interplay between Structural Phenomena and Interfaces in Thiophosphate-Based Solid-State Batteries [J].
Culver, Sean P. ;
Koerver, Raimund ;
Krauskopf, Thorben ;
Zeier, Wolfgang G. .
CHEMISTRY OF MATERIALS, 2018, 30 (13) :4179-4192
1234567