Eutectogels hold significant potential as electrolytes for energy storage devices. However, to fully leverage their capabilities, it is important to comprehend the atomic-level transport properties of eutectogels. This understanding will pave the way for improving their conductivity and stability, enabling widespread and efficient use in batteries. When Deep Eutectic Solvent (DES) combines with inorganic/organic matrices, eutectogels are formed, becoming advanced electrolytes. This study focuses on two key DES components: Lithium bis(trifluoromethanesulfonyl)imide as the hydrogen bond acceptor and N-methylacetamide as the hydrogen bond donor. Eutectogels are produced by combining DES with silica gel and -poly(vinylidene fluoride-co-hexafluoropropylene) in varying ratios. Molecular dynamics analysis is used to investigate their structural properties and dynamics. The Radial Distribution Function and hydrogen bond network evolution reveal insights into the system's structural arrangement and intermolecular interactions. Transport properties are studied through the Mean Squared Displacement, providing information about species diffusion within the system. Diffusive regimes help identify the behavior of Lithium ions in the gel electrolyte, facilitating their application in energy storage devices. The role of ionic conductivity in the eutectogel system's performance is also explored to understand the matrix's impact on transport properties. This research aims to establish eutectogels as efficient electrolytes for energy storage applications.

中文翻译：

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揭示基于有机和无机基质的 Eutectogel 中锂离子的基本结构和传输机制

共凝胶作为储能装置的电解质具有巨大的潜力。然而，为了充分利用它们的能力，了解共晶凝胶的原子级传输特性非常重要。这种理解将为提高其导电性和稳定性铺平道路，从而实现电池的广泛和高效使用。当低共熔溶剂 (DES) 与无机/有机基质结合时，会形成共熔凝胶，成为高级电解质。本研究重点关注两个关键的 DES 组分：作为氢键受体的双（三氟甲磺酰基）亚胺锂和作为氢键供体的 N-甲基乙酰胺。Eutectogels 是通过将 DES 与硅胶和聚（偏二氟乙烯 - 六氟丙烯）以不同的比例组合而成。分子动力学分析用于研究它们的结构特性和动力学。径向分布函数和氢键网络演化揭示了对系统结构排列和分子间相互作用的见解。通过均方位移研究输运特性，提供有关系统内物质扩散的信息。扩散机制有助于识别凝胶电解质中锂离子的行为，促进其在储能设备中的应用。还探讨了离子电导率在共析凝胶系统性能中的作用，以了解基质对传输特性的影响。这项研究旨在建立共凝胶作为储能应用的高效电解质。