中文版 | English
Title

Insights into LiMXO4F (M-X = Al-P and Mg-S) as Cathode Coatings for High-Performance Lithium-Ion Batteries

Author
Corresponding AuthorLiu, Bo; Han, Xiang; Shi, Siqi
Publication Years
2022-09-01
DOI
Source Title
ISSN
1944-8244
EISSN
1944-8252
Abstract
Cathode coatings have received extensive attention due to their ability to delay electrochemical performance degradation in lithium-ion batteries. However, the development of cathode coatings possessing high ionic conductivity and good interfacial stability with cathode materials has proven to be a challenge. Here, we performed first-principles computational studies on the phase stability, thermodynamic stability, and ionic transport properties of LiMXO4F (M-X = Al-P and Mg-S) used as cathode coatings. We find that the candidate coatings are thermodynamically metastable and can be synthesized experimentally. The coating materials possess high oxidative stability, with the materials predicted to decompose above 4.2 V, suggesting that they have good electrochemical stability under a high-voltage cathode. In addition, the candidate coatings exhibit significant chemical stability when in contact with oxide cathodes. Finally, we have studied the Li-ion transport paths and migration barriers of LiMXO4F (M-X = Al-P and Mg-S) and calculated the low migration barriers to be 0.19 and 0.09 eV, respectively. Our findings indicate that LiMXO4F (M-X = Al-P and Mg-S) are promising cathode coatings, among which LiMXO4F has been experimentally confirmed. The theoretical cathode coating computational methods presented here can be extended to the solid-state battery
Keywords
URL[Source Record]
Indexed By
Language
English
SUSTech Authorship
Others
Funding Project
National Natural Science Foundation of China[12004145] ; Jiangxi Provincial Natural Science Foundation[20212BAB214032] ; Key Science and Technology Project of Jian City[20211015311] ; Science and Technology Research Project of Jiangxi Provincial Department of Education[GJJ201030] ; PhD Start-up Fund of Natural Science Foundation of Jinggangshan University[JZB2013]
WOS Research Area
Science & Technology - Other Topics ; Materials Science
WOS Subject
Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary
WOS Accession No
WOS:000862391000001
Publisher
Data Source
Web of Science
Citation statistics
Cited Times [WOS]:0
Document TypeJournal Article
Identifierhttp://kc.sustech.edu.cn/handle/2SGJ60CL/406019
DepartmentDepartment of Physics
量子科学与工程研究院
Affiliation
1.Jinggangshan Univ, Coll Math & Phys, Jian 343009, Jiangxi, Peoples R China
2.Sci & Technol Innovat Dev Ctr, Jian 343006, Jiangxi, Peoples R China
3.Nanjing Forestry Univ, Coll Mat Sci & Engn, Nanjing 210037, Peoples R China
4.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Guangdong, Peoples R China
5.Southern Univ Sci & Technol, Shenzhen Inst Quantum Sci & Technol, Shenzhen 518055, Guangdong, Peoples R China
6.Shanghai Univ, Sch Mat Sci & Engn, Shanghai 200444, Peoples R China
Recommended Citation
GB/T 7714
Liu, Bo,Shi, Xiaowen,Gu, Lanhui,et al. Insights into LiMXO4F (M-X = Al-P and Mg-S) as Cathode Coatings for High-Performance Lithium-Ion Batteries[J]. ACS Applied Materials & Interfaces,2022.
APA
Liu, Bo.,Shi, Xiaowen.,Gu, Lanhui.,Wen, Yufeng.,Sun, Xinyuan.,...&Shi, Siqi.(2022).Insights into LiMXO4F (M-X = Al-P and Mg-S) as Cathode Coatings for High-Performance Lithium-Ion Batteries.ACS Applied Materials & Interfaces.
MLA
Liu, Bo,et al."Insights into LiMXO4F (M-X = Al-P and Mg-S) as Cathode Coatings for High-Performance Lithium-Ion Batteries".ACS Applied Materials & Interfaces (2022).
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