The mechanism of Li-ion transport in carbonate-based electrolytes

Molecular dynamics simulations were performed on 1 M LiPF 6 in the electrolyte composed of EC and DMC. As temperature decreases, the solvation of Li + shifts from EC-dominated to DMC-dominated coordination, which suppresses the solvent exchange of Li + .

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Publication Details

Journal
Journal of Materials Chemistry A
Published
2025-12-10
DOI
https://doi.org/10.1039/d5ta08753h
Primary Topic
Advanced Battery Materials and Technologies
Type
article
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article

The mechanism of Li-ion transport in carbonate-based electrolytes

Tianying Yan, Tao Wang, Jun‐Yu Huang, Shu Li et al.
Journal of Materials Chemistry A
Advanced Battery Materials and Technologies
article

The mechanism of Li-ion transport in carbonate-based electrolytes

Tianying Yan, Tao Wang, Jun‐Yu Huang, Shu Li, Yuechao Wu, Hongjin Li, Bin Kan
article en

Abstract

Molecular dynamics simulations were performed on 1 M LiPF 6 in the electrolyte composed of EC and DMC. As temperature decreases, the solvation of Li + shifts from EC-dominated to DMC-dominated coordination, which suppresses the solvent exchange of Li + .

Journal of Materials Chemistry AVol. 14(1)
Nankai University (CN)
Openalex Percentile: Top 60%
Advanced Battery Materials and Technologies
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