Correlating structure and transport behavior in Li+ and O2 containing pyrrolidinium ionic liquids. Issue 31 (25th July 2019)

• Record Type: Journal Article
• Authors: Gittleson, Forrest S.; Ward, Donald K.; Jones, Reese E.; Zarkesh, Ryan A.; Sheth, Tanvi; Foster, Michael E.
• Is Part Of: Physical chemistry chemical physics. Volume 21:Issue 31(2019)
• Page Start: 17176
• Page End: 17189
• Publication Date: 2019-07-25
• Subjects: Chemistry, Physical and theoretical -- Periodicals; 541.3
• DOI: 10.1039/c9cp02355k
• Languages: English
• ISSNs: 1463-9076

Abstract

Abstract : Using experiments and molecular simulations, we evaluate pyrrolidinium-based ionic liquid Li electrolytes and find that Li + and O2 transport can be enhanced by varying the pyrrolidinium structure and Li concentration. Abstract : Ionic liquids are a unique class of materials with several potential applications in electrochemical energy storage. When used in electrolytes, these highly coordinating solvents can influence device performance through their high viscosities and strong solvation behaviors. In this work, we explore the effects of pyrrolidinium cation structure and Li + concentration on transport processes in ionic liquid electrolytes. We present correlated experimental measurements and molecular simulations of Li + mobility and O2 diffusivity, and connect these results to dynamic molecular structural information and device performance. In the context of Li–O2 /Li–air battery chemistries, we find that Li + mobility is largely influenced by Li + -anion coordination, but that both Li + and O2 diffusion may be affected by variations of the pyrrolidinium cation and Li + concentration.