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Updated: Jan 17, 2026

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
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解决电驱动三元电解质的莱普诺夫方程:应用到远程范德瓦尔斯相互作用

Guangle Du1, Bing Miao1, David S Dean2,3

  • 1University of Chinese Academy of Sciences, Center of Materials Science and Optoelectronics Engineering, College of Materials Science and Opto-Electronic Technology, (UCAS), Beijing 100049, China.

Physical review. E
|September 16, 2025
PubMed
概括

随机密度函数理论 (SDFT) 简化了三元电解质的复杂利亚普诺夫方程. 这使得能够计算驱动电解质中的范德瓦尔斯相互作用,揭示了对扩散系数的依赖.

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