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Updated: Feb 21, 2026

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
05:37

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

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分子柔軟性制御によるイオン溶解と硫酸塩ベースのリチウムイオン電池の電解質における電極反応の動力学

Misa Yamashita1, Saki Sawayama1, Kenta Fujii1

  • 1Graduate School of Sciences and Technology for Innovation, Yamaguchi University, 2-16-1 Tokiwadai, Ube, Yamaguchi 755-8611, Japan.

The journal of physical chemistry. B
|February 19, 2026
PubMed
まとめ

リチウムイオン電池の電解質における溶媒の分子柔軟性は,リチウムイオン溶解と電極動力学に大きな影響を及ぼします. 非常に柔軟なジメチル硫酸塩 (DMS) 電解質は,ユニークなLi + 調整とより速い運動性を示すが,安定性が向上した濃縮電解質とは異なり,不安定なインターフェースにつながる可能性があります.

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