How Ionic Structure Governs Bulk Properties: Charge Lever Moments of Alicyclic Ionic Liquids utilized in Lithium Metal Batteries, By Leila Maftoon-Azad

Research

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
Journal	JOURNAL OF THE ELECTROCHEMICAL SOCIETY
DOI	10.1149/1945-7111/ ac7e70
Researchers	Leila Maftoon-Azad (Second researcher) , Tahmineh Jalali (Third researcher)

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.