Role of Ferroelectric In2Se3 in Polysulfide Shuttling and Charging/Discharging Kinetics in Lithium/Sodium–Sulfur Batteries

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Role of Ferroelectric In2Se3 in Polysulfide Shuttling and Charging/Discharging Kinetics in Lithium/Sodium–Sulfur Batteries
Title:
Role of Ferroelectric In2Se3 in Polysulfide Shuttling and Charging/Discharging Kinetics in Lithium/Sodium–Sulfur Batteries
Journal Title:
ACS Applied Materials & Interfaces
Keywords:
Publication Date:
03 April 2022
Citation:
Yuan, H., & Zhang, Y.-W. (2022). Role of Ferroelectric In2Se3 in Polysulfide Shuttling and Charging/Discharging Kinetics in Lithium/Sodium–Sulfur Batteries. ACS Applied Materials & Interfaces, 14(14), 16178–16184. https://doi.org/10.1021/acsami.1c24801
Abstract:
Lithium-sulfur (Li-S) and sodium-sulfur (Na-S) batteries, with the advantages of ultrahigh energy density, natural abundance, and eco-friendliness, are regarded as the next-generation rechargeable batteries. However, polysulfide shuttling and sluggish charging /discharging kinetics in sulfur cathode severely hamper their practical applications. In this study, via employing first-principles calculations, we investigate 2D ferroelectric In2Se3 as a promising additive to overcome these obstacles. Our studies reveal the following findings: (1) The In2Se3 monolayer has a modest adsorption strength to soluble polysulfides, which not only eliminates the notorious shuttle effect but also prevents polysulfides dissolution; (2) In2Se3 is able to significantly reduce the free energy barriers of sulfur reduction reaction (SRR) and the decomposition barriers of Li2S and Na2S, thus greatly enhancing the charging and discharging efficiency; (3) due to the strong binding ability, the polarization downwards (P↓) surface always outperforms the polarization upwards (P↑) surface during charging/discharging processes, enabling the effective control of battery performance by ferroelectric switching. Given these advantages, it is expected that ferroelectric In2Se3 and similar ferroelectric additives will open a new route to enhance Li-S and Na-S battery performance.
License type:
Publisher Copyright
Funding Info:
This research / project is supported by the National Research Foundation - Competitive Research Programme
Grant Reference no. : NRF-CRP24-2020-0002

This research / project is supported by the A*STAR - Central Research Fund
Grant Reference no. : NA
Description:
This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Applied Materials & Interfaces, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see doi.org/10.1021/acsami.1c24801
ISSN:
1944-8252
1944-8244
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