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Title
How Ionic Structure Governs Bulk Properties: Charge Lever Moments of Alicyclic Ionic Liquids utilized in Lithium Metal Batteries
Type Article
Keywords
Ionic Liquids, Lithium Ion Batteries, Charge Lever Moment
Abstract
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.
Researchers Leila Maftoon-Azad (Second researcher) , Tahmineh Jalali (Third researcher)