Unraveling the underlying structural & transport mechanism of lithium-ion within Lithium bis(trifluoromethanesulfonyl)imide subjected to organic & inorganic matrix based Eutectogel

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 β-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.