Advances and Atomistic Insights of Electrolytes for Lithium-Ion Batteries and Beyond

Authors

Tingzheng Hou, 1. Department of Materials Science and Engineering, University of California, Berkeley, CA 94720, USA;2. Institute of Materials Research, Tsinghua Shenzhen International Graduate School, Tsinghua University, Shenzhen 518055, China;Follow
Xiang Chen, 4. Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China;
Lu Jiang, 1. Department of Materials Science and Engineering, University of California, Berkeley, CA 94720, USA;
Cheng Tang, 3. School of Chemical Engineering and Advanced Materials, The University of Adelaide, Adelaide, SA 5005, Australia;4. Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China;Follow

Corresponding Author

Tingzheng Hou(tingzheng_hou@berkeley.edu);
Cheng Tang(cheng.tang@adelaide.edu.au)

Abstract

Electrolytes and the associated electrode-electrolyte interfaces are crucial for the development and application of high-capacity energy storage systems. Specifically, a variety of electrolyte properties, ranging from mechanical (compressibility, viscosity), thermal (heat conductivity and capacity), to chemical (solubility, activity, reactivity), transport, and electrochemical (interfacial and interphasial), are correlated to the performance of the resultant full energy storage device. In order to facilitate the operation of novel electrode materials, extensive experimental efforts have been devoted to improving these electrolyte properties by tuning the physical design and/or chemical composition. Meanwhile, the recent development of theoretical modeling methods is providing atomistic understandings of the electrolyte’s role in regulating the ion transport and enabling a functional interface. In this regard, we stand at a new frontier to take advantage of the revealed mechanistic insights into rationally design novel electrolyte systems. In this review, we first summarize the composition, solvation structure, and transport properties of conventional electrolytes as well as the formation mechanism of the electrode-electrolyte interphase. Moreover, some of the promising energy storage systems are briefly introduced. Further, approaches to stabilize the electrode-electrolyte interphase using novel electrolyte design, including electrolyte additives, high-concentration electrolytes, and solid-state electrolytes, are discussed. Some recent advances in the atomistic modeling of these aspects are particularly focused to provide a fundamental understanding of electrolytes and a comprehensive guide for future electrolyte design. Finally, we highlight the prospects of theoretical screening of novel electrolytes.

Graphical Abstract

Keywords

lithium-ion batteries, electrolytes, atomistic modeling, solid electrolyte interphase, solid-state electrolytes

DOI Link

https://doi.org/10.13208/j.electrochem.2219007

Publication Date

2022-11-28

Online Available Date

2022-11-04

Revised Date

2022-10-10

Received Date

2022-09-11

Recommended Citation

Tingzheng Hou, Xiang Chen, Lu Jiang, Cheng Tang. Advances and Atomistic Insights of Electrolytes for Lithium-Ion Batteries and Beyond[J]. Journal of Electrochemistry, 2022 , 28(11): 2219007.
DOI: 10.13208/j.electrochem.2219007
Available at: https://jelectrochem.xmu.edu.cn/journal/vol28/iss11/5