Experimental and Computational Study of Lithium Salt-/Plastic Crystal-Assisted Ionogels

In the present study, to accomplish the requirement of an economical endurable quasi-solid-state electrolyte, ionogels have been prepared by nonhydrolytic sol–gel method. Ionic liquid, 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, succinonitrile (N≡C–CH2CH2–C≡N), and LiClO4 are incorporated inside the non-conductive matrix of silicon dioxide (SiO2). The structural, vibrational, and thermal properties are studied using experimental techniques. Highly amorphous nature of SM2 and SM4 which contain SCN and SCN with a lithium salt, respectively, in comparison with pure ionogel (SM1) and assisted with lithium salt (SM3) was confirmed by X-ray diffraction and differential scanning calorimetry techniques. The existence of different characteristic peaks in SM1, SM2, SM3, and SM4 ionogels was confirmed by FTIR analysis. The density functional theory was used to study the interaction between the molecules of ionogels. The selectivity and reactivity of the ionogels were investigated using the HOMO–LUMO levels.