中文版 | English
Title

Superionic Conducting Halide Frameworks Enabled by Interface-Bonded Halides

Author
Corresponding AuthorSham, Tsun-Kong; Mo, Yifei; Sun, Xueliang
Publication Years
2022-12-30
DOI
Source Title
ISSN
0002-7863
EISSN
1520-5126
Volume145Pages:2183-2194
Abstract
The revival of ternary halides Li-M-X (M = Y, In, Zr, etc.; X = F, Cl, Br) as solid-state electrolytes (SSEs) shows promise in realizing practical solid-state batteries due to their direct compatibility toward high-voltage cathodes and favorable room-temperature ionic conductivities. Most of the reported superionic halide SSEs have a structural pattern of [MCl6]x− octahedra and generate a tetrahedron-assisted Li+ ion diffusion pathway. Here, we report a new class of zeolite-like halide frameworks, SmCl3, for example, in which 1-dimensional channels are enclosed by [SmCl9]6- tricapped trigonal prisms to provide a short jumping distance of 2.08 Å between two octahedra for Li+ ion hopping. The fast Li+ diffusion along the channels is verified through ab initio molecular dynamics simulations. Similar to zeolites, the SmCl3 framework can be grafted with halide species to obtain mobile ions without altering the base structure, achieving an ionic conductivity over 10-4 S cm-1 at 30 °C with LiCl as the adsorbent. Moreover, the universality of the interface-bonding behavior and ionic diffusion in a class of framework materials is demonstrated. It is suggested that the ionic conductivity of the MCl3/halide composite (M = La-Gd) is likely in correlation with the ionic conductivity of the grafted halide species, interfacial bonding, and framework composition/dimensions. This work reveals a potential class of halide structures for superionic conductors and opens up a new frontier for constructing zeolite-like frameworks in halide-based materials, which will promote the innovation of superionic conductor design and contribute to a broader selection of halide SSEs.

© 2022 American Chemical Society.

Indexed By
SCI ; EI
Language
English
Important Publications
NI Journal Papers
SUSTech Authorship
Others
Funding Project
This research was supported by the Natural Sciences and Engineering Research Council of Canada (NSERC), Canada Research Chair Program (CRC), Canada Foundation for Innovation (CFI), Ontario Research Fund, the Canada Light Source at the University of Saskatchewan (CLS), Interdisciplinary Development Initiatives (IDI) by Western University, Canada MITACS fellow, and University of Western Ontario. The authors also appreciate the help of the beamline scientist of HXMA (Dr. Weifeng Chen), VESPERS (Dr. Renfei Feng), PGM (Dr. Lucia Zuin), BXDS, and SXRMB (Dr. Mohsen Shakouri, Dr. Qunfeng Xiao, and Dr. Yongfeng Hu) beamline at Canadian Light Source, 20-BM/ID (Dr. Zou Finfrock, Dr. Debora Motta Meira, and Dr. Michael Pape) at Advanced Photon Source, and 19A (Dr. Yu-Chun Chuang) at Taiwan Photon Source. Y.M. acknowledges the funding support from the US National Science Foundation Award# 1940166 and the computational facilities from the University of Maryland supercomputing resources and the Maryland Advanced Research Computing Center (MARCC). M.G. acknowledges the funding support from Shenzhen Science and Technology Program (Grant no. KQTD20190929173815000) and Guangdong Innovative and Entrepreneurial Research Team Program (Grant no. 2019ZT08C044). The TEM work used the resources of Pico Center from SUSTech Core Research Facilities.
WOS Accession No
WOS:000907805000001
Publisher
EI Accession Number
20230113342697
EI Keywords
Binary Alloys ; Chlorine Compounds ; Diffusion ; Grafting (Chemical) ; Ionic Conduction In Solids ; Ions ; Lithium Alloys ; Lithium Compounds ; Molecular Dynamics ; Solid Electrolytes ; Solid-State Batteries ; Zeolites
ESI Classification Code
Lithium And Alloys:542.4 ; Alkali Metals:549.1 ; Electricity: Basic Concepts And Phenomena:701.1 ; Secondary Batteries:702.1.2 ; Physical Chemistry:801.4 ; Chemical Reactions:802.2 ; Chemical Agents And Basic Industrial Chemicals:803 ; Inorganic Compounds:804.2
Data Source
EV Compendex
Citation statistics
Cited Times [WOS]:2
Document TypeJournal Article
Identifierhttp://kc.sustech.edu.cn/handle/2SGJ60CL/519715
DepartmentDepartment of Materials Science and Engineering
Affiliation
1.Department of Mechanical and Materials Engineering, University of Western Ontario, London; ON; N6A 5B9, Canada
2.Department of Chemistry, University of Western Ontario, London; ON; N6A 5B7, Canada
3.Department of Materials Science and Engineering, University of Maryl, College Park; MD; 20742, United States
4.Department of Materials Science and Engineering, Southern University of Science and Technology, Shenzhen; 518055, China
5.Chemical Engineering, McMaster University, Hamilton; ON; L8S 4M1, Canada
6.Canadian Light Source Inc., University of Saskatchewan, Saskatoon; SK; S7N 2V3, Canada
7.National Synchrotron Radiation Research Centre, 101 Hsin-Ann Road, Hsinchu; 30076, Taiwan
Recommended Citation
GB/T 7714
Fu, Jiamin,Wang, Shuo,Liang, Jianwen,et al. Superionic Conducting Halide Frameworks Enabled by Interface-Bonded Halides[J]. Journal of the American Chemical Society,2022,145:2183-2194.
APA
Fu, Jiamin.,Wang, Shuo.,Liang, Jianwen.,Alahakoon, Sandamini H..,Wu, Duojie.,...&Sun, Xueliang.(2022).Superionic Conducting Halide Frameworks Enabled by Interface-Bonded Halides.Journal of the American Chemical Society,145,2183-2194.
MLA
Fu, Jiamin,et al."Superionic Conducting Halide Frameworks Enabled by Interface-Bonded Halides".Journal of the American Chemical Society 145(2022):2183-2194.
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