Ion Conductivity in Salt-Doped Polymers: Combined Effects of Temperature and Salt Concentration,ACS Macro Letters

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Ion Conductivity in Salt-Doped Polymers: Combined Effects of Temperature and Salt Concentration
ACS Macro Letters ( IF 5.1 ) Pub Date : 2024-02-23 , DOI: 10.1021/acsmacrolett.3c00757
Alexandros J Tsamopoulos ₁ , Zhen-Gang Wang ₁

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We construct a coarse-grained molecular dynamics model based on poly(ethylene oxide) and lithium bis(trifluoromethane)sulfonimide salt to examine the combined effects of temperature and salt concentration on the transport properties. Salt doping notably slows the dynamics of polymer chains and reduces ion diffusivity, resulting in a glass transition temperature increase proportional to the salt concentration. The polymer diffusion is shown to be well represented by a modified Vogel–Fulcher–Tamman (M-VFT) equation that accounts for both the temperature and salt concentration dependence. Furthermore, we find that, at any temperature, the concentration dependence of the conductivity is well described by the product of its infinite dilution value and a correction factor accounting for the reduced segmental mobility with increasing salt concentration. These results highlight the important role of polymer segmental mobility in the salt concentration dependence of ion conductivity for temperatures near and above the glass transition.

中文翻译：

盐掺杂聚合物中的离子电导率：温度和盐浓度的综合影响

我们构建了基于聚环氧乙烷和双（三氟甲烷）磺酰亚胺锂盐的粗粒度分子动力学模型，以研究温度和盐浓度对传输性能的综合影响。盐掺杂显着减慢了聚合物链的动力学并降低了离子扩散率，导致玻璃化转变温度与盐浓度成正比增加。改进的 Vogel-Fulcher-Tamman (M-VFT) 方程可以很好地表示聚合物扩散，该方程解释了温度和盐浓度的依赖性。此外，我们发现，在任何温度下，电导率的浓度依赖性可以通过其无限稀释值和修正因子的乘积来很好地描述，该修正因子解释了随着盐浓度的增加而降低的段迁移率。这些结果强调了在接近和高于玻璃化转变的温度下，聚合物链段迁移率在离子电导率的盐浓度依赖性中的重要作用。

更新日期：2024-02-23

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