The micro and nanotechnology have miniaturized the devices and the consequence is integrated power source as lithium battery is required to be lighter, more powerful and more safety in smaller dimension. Todaythe ionic liquids (ILs) and the room temperature ILs (RTILs) have been known as novel solvents for green chemistry. There is a widespread interest in RTILs as new non-volatile solvents in both academia and industry investigations as diverse as electrochemistry, synthesis, catalysis, materials and biotechnologies. ILs based electrolytes for electrochemical applications including fuel cells, double-layer capacitors, lithium batteries – especially the new generation of lithium batteries - offer many advantages over conventional liquid electrolytes based on organic solvents, in particular high chemical and thermal stabilities, broad electrochemical stability window, low vapour pressure and nonflammability [1].
This work described the computational approach of investigation of the quaternary ammonium based ionic liquids.
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