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; Yi Cui

doi:10.1038/s41467-023-44527-x

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^*, Yi Cui^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

19 Citations (Scopus)

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 1^st plateau voltage, higher 2^nd 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.

Original language	English
Article number	1268
Journal	Nature Communications
Volume	15
Issue number	1
DOIs	https://doi.org/10.1038/s41467-023-44527-x
Publication status	Published - Dec 2024
Externally published	Yes

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title = "Solvation-property relationship of lithium-sulphur battery electrolytes",

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.",

author = "Kim, {Sang Cheol} and Xin Gao and Liao, {Sheng Lun} and Hance Su and Yuelang Chen and Wenbo Zhang and Greenburg, {Louisa C.} and Pan, {Jou An} and Xueli Zheng and Yusheng Ye and Kim, {Mun Sek} and Philaphon Sayavong and Aaron Brest and Jian Qin and Zhenan Bao and Yi Cui",

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doi = "10.1038/s41467-023-44527-x",

language = "English",

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AU - Kim, Sang Cheol

AU - Gao, Xin

AU - Liao, Sheng Lun

AU - Su, Hance

AU - Chen, Yuelang

AU - Zhang, Wenbo

AU - Greenburg, Louisa C.

AU - Pan, Jou An

AU - Zheng, Xueli

AU - Ye, Yusheng

AU - Kim, Mun Sek

AU - Sayavong, Philaphon

AU - Brest, Aaron

AU - Qin, Jian

AU - Bao, Zhenan

AU - Cui, Yi

PY - 2024/12

Y1 - 2024/12

N2 - 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.

AB - 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.

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SN - 2041-1723

VL - 15

JO - Nature Communications

JF - Nature Communications

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Solvation-property relationship of lithium-sulphur battery electrolytes

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