Molecular Mechanisms Driving the Performance of Single-Ion Conducting Polymer Electrolytes in Lithium-Based Batteries

Langmuir, Journal Year: 2025, Volume and Issue: unknown

Published: May 15, 2025

Single-ion conducting polymer electrolytes (SICPEs) hold great potential for the next-generation batteries due to their high safety, fast charging capability, and energy density. However, practical application is hindered by low ionic conductivity (IC). The addition of plasticizers has been shown effectively enhance IC, although underlying molecular mechanisms remain unclear. In this study, we employed atomistic dynamics simulations examine impact ethylene carbonate (EC) on lithium-ionic in a modified polyethylene terephthalate (mPET)-based SICPE. Our reproduced experimental IC values revealed similar trend with varying EC concentrations, including notable transition at 50 wt % EC. This enhancement appears be associated increased diffusion preferential coordination lithium ions oxygen atoms Analysis local environment around further explains observed These findings provide insights into which enhances mPET-based SICPEs, primarily through changes surrounding ions. study contributes design improved SICPEs plasticizers, supporting advancements lithium-ion battery technology.

Language: Английский

A crosslinked polycarbonate-based hybrid electrolyte enhanced by covalent bonding-driven MOF for dendrite-free solid-state lithium metal batteries

Journal of Colloid and Interface Science, Journal Year: 2025, Volume and Issue: 697, P. 137993 - 137993

Published: May 26, 2025

Language: Английский