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DOE OSTI · 2305759

Simulation guided molecular design of hydrofluoroether solvent for high energy batteries

Yu, Zhou·Shi, Zhangxing·Bheemireddy, Sambasiva R.·Kamphaus, Ethan·Lyu, Xingyi·Uddin, Mohammad Afsar·Li, Zhiguang·Yang, Zhenzhen·Li, Tao·Moore, Jeffrey S.·Zhang, Lu·Cheng, Lei
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Abstract

The study introduces novel asymmetric hydrofluoroether (HFE) designs, uncovers solvation-property relationships, and leverages molecular dynamics modeling for high-performance electrolytes in advanced lithium batteries.

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25 ENERGY STORAGEHydrofluoroetherLi metalSEIsimulation

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Yu, Zhou, Shi, Zhangxing, Bheemireddy, Sambasiva R., Kamphaus, Ethan, Lyu, Xingyi, Uddin, Mohammad Afsar, Li, Zhiguang, Yang, Zhenzhen, Li, Tao, Moore, Jeffrey S., Zhang, Lu, Cheng, Lei. 2024-03-12. Simulation guided molecular design of hydrofluoroether solvent for high energy batteries. https://doi.org/10.1039/d3ta07670a

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