Structural electrolytes have both mechanical strength and ionic conductivity which make them attractive for applications in electrochemical devices and supercapacitors. In this work we used molecular dynamics simulations to investigate structural electrolytes composed of an ionic liquid in an epoxy polymer. The glass transition temperature, Young’s modulus, diffusivity, and ionic conductivity of the highly cross-linked, epoxy-based structural electrolytes were found to vary significantly as a function of ionic liquid content, providing an option to improve the performance of devices. Our computational protocol provides a platform to elucidate the molecular-level interactions between epoxy polymers and ionic liquids, leading to an enhanced understanding of the multifunctional solid polymer electrolytes and enabling their development to meet future demands for energy storage devices.

中文翻译：

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基于环氧树脂和离子液体的结构电解质：分子水平的研究

结构性电解质具有机械强度和离子电导率，这使其在电化学设备和超级电容器中具有吸引力。在这项工作中，我们使用分子动力学模拟研究了由环氧聚合物中的离子液体组成的结构电解质。发现高度交联的基于环氧的结构电解质的玻璃化转变温度，杨氏模量，扩散率和离子电导率随离子液体含量的变化而显着变化，从而提供了改善器件性能的选择。我们的计算协议为阐明环氧聚合物与离子液体之间的分子级相互作用提供了一个平台，