In this study, the effect of ionic symmetry and liberational motion on macroscopic properties of some lithium cell electrolytes was investigated. We utilized the charge lever moment (CLM) concept to establish the dynamical behavior of ionic liquids. The CLM value was specified using density functional theory and characterized for each ionic liquid using the electronic structure. In particular, we surveyed the impact of the basis set, method, lithium presence and ions shapes, sizes, and the heteroatom type on CLM.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.