Published March 2020 | public
Conference Paper

Multiscale simulations of polymer and ionic liquid electrolytes in Li batteries

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Abstract

There are strong interests motivated by safety to replace the liq. electrolytes in Li batteries with polymers or ionic liqs. We use multiscale methods combining quantum mechanics (QM) and reactive force fields to examine the atomistic structures of these electrolytes including Li diffusion and the formation of the Solid-Electrolyte Interface (SEI).

Additional Information

© 2020 American Chemical Society.

Additional details

Created:
August 19, 2023
Modified:
October 19, 2023