Solvent and Salt Effect on Lithium Ion Solvation and Contact Ion Pair Formation in Organic Carbonates: A Quantum Chemical Perspective

Ponnuchamy, Veerapandian; Mossa, Stefano; Skarmoutsos, Ioannis

doi:10.1021/acs.jpcc.8b09892

Public

Solvent and Salt Effect on Lithium Ion Solvation and Contact Ion Pair Formation in Organic Carbonates: A Quantum Chemical Perspective

Published in The Journal of Physical Chemistry C • Oct 25, 2018

Authors:

Veerapandian Ponnuchamy

Stefano Mossa

Ioannis Skarmoutsos

Abstract

Quantum chemical calculations have been employed to investigate the solvation of lithium cations in ethylene carbonate/propylene carbonate and propylene carbonate/dimethyl carbonate mixed electrolytes. The impact of the presence of the counteranion on the solvation of Li+ in pure propylene carbonate...

Subject

Solvation

Ethylene carbonate

Propylene carbonate

Research Assistant

AI chat, annotations, notes & similar papers

Finding related papers...

Discussions

(0)

No comments yet

Be the first to share your thoughts!