Detailed Information

Cited 0 time in webofscience Cited 0 time in scopus
Metadata Downloads

Ether vs. Carbonate solvents in Na-CuS Batteries: Impact on anode Morphology, SEI Formation, and desolvation dynamics

Authors
Kim, Young-HoonSim, Son -JaeYoon, Yeong-InChoi, Yong-SeokKim, Hong-KyuLee, Jae- Chul
Issue Date
1-Jul-2024
Publisher
ELSEVIER SCIENCE SA
Keywords
Na-ion battery; Solvent; Machine -learning -assisted molecular dynamics; DFT calculations; Porous nanostructures; Desolvation dynamics
Citation
CHEMICAL ENGINEERING JOURNAL, v.491
Indexed
SCIE
SCOPUS
Journal Title
CHEMICAL ENGINEERING JOURNAL
Volume
491
URI
https://scholar.korea.ac.kr/handle/2021.sw.korea/198442
DOI
10.1016/j.cej.2024.151970
ISSN
1385-8947
1873-3212
Abstract
Traditionally, electrolyte solvents in batteries have been regarded primarily as carrier for ion transporters. Here, we reveal the critical roles of solvents in transforming microscale anode materials into porous nanostructures and in facilitating the formation of thinner, more efficient solid -electrolyte interphase (SEI) layers. Using machinelearning -assisted molecular dynamics simulations combined with density functional theory calculations on Na-CuS batteries, we unveil the significant yet previously unclear impact of solvent choice on solvation/desolvation dynamics, a complex area that has been difficult to resolve with traditional methods. We demonstrate that solvent choice significantly impacts the capacity, particularly the rate performance, primarily due to the desolvation dynamics, thus establishing a direct correlation between solvent selection and battery performance. Our findings highlight DEGDME as the optimal solvent for Na-CuS half -cells, due to its low Na desolvation energy and favorable Na-O bond energy. This leads to exceptional energy capacity (610 mAh/g at 2C) and ultrafast charging capability (520 mAh/g at 30C). This research marks a significant advancement in energy storage technology by demonstrating the crucial role of solvent selection in anode morphology, SEI formation, and desolvation energy optimization.
Files in This Item
There are no files associated with this item.
Appears in
Collections
College of Engineering > ETC > 1. Journal Articles

qrcode

Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.

Related Researcher

Researcher Lee, Jae chul photo

Lee, Jae chul
College of Engineering
Read more

Altmetrics

Total Views & Downloads

BROWSE