We use all-atom molecular dynamics simulations to study the effect of polymer polarity, as quantified by the dielectric constant, on the transport properties of lithium bis(trifluoromethylsulfonyl)imide (LiTFSI) doped polyethers. Our results indicate that increasing the host dielectric constant leads to a decrease in ionic cluster sizes and reduction in correlated motion of oppositely charged ions. This causes the ionic conductivity to more closely approach the Nernst-Einstein limit in which ionic conductivity is only limited by the diffusivities of Li⁺ and TFSI^–. We compare our results to recent experimental observations which demonstrate similar qualitative trends in host polarity.

中文翻译：

---

介电常数对聚醚基电解质中离子传输的影响

我们使用全原子分子动力学模拟来研究聚合物极性（通过介电常数量化）对双（三氟甲基磺酰）亚胺锂 (LiTFSI) 掺杂聚醚的传输特性的影响。我们的结果表明，增加主体介电常数会导致离子簇尺寸减小和带相反电荷离子的相关运动减少。这导致离子电导率更接近于能斯特-爱因斯坦极限，其中离子电导率仅受 Li ⁺和 TFSI ^-的扩散率限制。我们将我们的结果与最近的实验观察结果进行了比较，这些观察结果证明了宿主极性的相似定性趋势。