The ionic conductivity of solid polymer electrolytes is governed by the ionic association caused by the polymer···Li + and the anion···Li + interactions. We performed the density functional calculation to analyze the molecular interactions in the CH 3 –(CH 2 –CF 2 ) n –CH 3 –Li + –(CF 3 SO 2 ) 2 N – for n = 1,4 systems. The gauche conformation is predicted in the lowest energy conformer of pure polymer except for n = 1. The lithium coordination number with the polymer is changed from 3 to 2 in the presence of anion for n = 2, 4 systems. The consequences of the Li + ion and Li + –(CF 3 SO 2 ) 2 N – to the vibrational spectrum are studied to understand the ionic association at the molecular level.
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.
hi@scite.ai
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.