Molecular Dynamics Insight into the Role of Water Molecules in Ionic Liquid Mixtures of 1-Butyl-3-methylimidazolium Iodide and Ethylammonium Nitrate.

Imidazolium-based ionic liquids are well known for their versatility as solvents for various applications such as dye-sensitized solar cells, fuel cells, and lithium-ion batteries; however, their complex interactions continue to be investigated to further improve upon their design. Ionic liquids (ILs) are commonly mixed with co-solvents such as water, organic solvents, or other ionic liquids to tailor their physiochemical properties. To better predict these properties and fundamentally understand the molecular interactions within the electrolyte mixtures, molecular dynamics (MD) simulations are often employed.

Tailoring intermolecular interactions to develop a low-temperature electrolyte system consisting of 1-butyl-3-methylimidazolium iodide and organic solvents.

Ionic liquids (ILs) exhibit remarkable properties and great tunability, which make them an attractive class of electrolyte materials for a variety of electrochemical applications. However, despite the promising progress for operating conditions at high temperatures, the development of their low-temperature viability as electrolytes is still limited due to the constrains from thermal and ion transport issues with a drastic decrease in temperature. In this study, we present a liquid electrolyte system based on a mixture of 1-butyl-3-methylimidazolium iodide ([BMIM][I]), γ-butyrolactone (GBL), propylene carbonate (PC), and lithium iodide (LiI) and utilize its molecular interactions to tailor its properties for extremely low-temperature sensing applications.

A Dual Ionic Liquid-Based Low-Temperature Electrolyte System.

Ionic liquids (ILs) show a promising future as electrolytes in electrochemical devices. In particular, IL-based electrolytes bring operations at extreme temperatures to realization that conventional electrolytes fail to accomplish. Although IL electrolytes demonstrate considerable progress in high-temperature applications, their breakthroughs in devices operating at low temperatures are still very limited due to undesirable phase transitions and unsatisfying transport properties.