Solvation-property relationship of lithium-sulphur battery electrolytes

Sang Cheol Kim, Xin Gao, Sheng-Lun Liao, Hance Su, Yuelang Chen, Wenbo Zhang, Louisa C. Greenburg, Jou-An Pan, Xueli Zheng, Yusheng Ye, Mun Sek Kim, Philaphon Sayavong, Aaron Brest, Jian Qin (), Zhenan Bao () and Yi Cui ()
Additional contact information
Sang Cheol Kim: Stanford University
Xin Gao: Stanford University
Sheng-Lun Liao: Stanford University
Hance Su: Stanford University
Yuelang Chen: Stanford University
Wenbo Zhang: Stanford University
Louisa C. Greenburg: Stanford University
Jou-An Pan: Stanford University
Xueli Zheng: Stanford University
Yusheng Ye: Stanford University
Mun Sek Kim: Stanford University
Philaphon Sayavong: Stanford University
Aaron Brest: Stanford University
Jian Qin: Stanford University
Zhenan Bao: Stanford University
Yi Cui: Stanford University

Nature Communications, 2024, vol. 15, issue 1, 1-9

Abstract: Abstract The Li-S battery is a promising next-generation battery chemistry that offers high energy density and low cost. The Li-S battery has a unique chemistry with intermediate sulphur species readily solvated in electrolytes, and understanding their implications is important from both practical and fundamental perspectives. In this study, we utilise the solvation free energy of electrolytes as a metric to formulate solvation-property relationships in various electrolytes and investigate their impact on the solvated lithium polysulphides. We find that solvation free energy influences Li-S battery voltage profile, lithium polysulphide solubility, Li-S battery cyclability and the Li metal anode; weaker solvation leads to lower 1st plateau voltage, higher 2nd plateau voltage, lower lithium polysulphide solubility, and superior cyclability of Li-S full cells and Li metal anodes. We believe that relationships delineated in this study can guide the design of high-performance electrolytes for Li-S batteries.

Date: 2024
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DOI: 10.1038/s41467-023-44527-x

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