07 April 2013

University of Kentucky Reports on Heteroaromatic Molecules (Redox Shuttle) as Electrolyte Additives in Lithium Ion Batteries

University of Kentucky reports on its research on redox shuttles which are derivatives of fused heteroaromatic molecules, as additives in lithium ion batteries. This research was presented at a meeting of the American Chemical Society as part of the 245th National Meeting & Exposition of the American Chemical Society.

Abstract: Stability and reactivity of redox shuttle additives for lithium-ion batteries

Selin Ergun, University of Kentucky
Phone: 859-257-9545
Email: selin.ergun@uky.edu

Derivatives of fused heteroaromatic molecules have been studied as electrolyte additives, also called redox shuttles, for overcharge protection in lithium-ion batteries with varying degrees of success. These additives fail as they decompose in their radical cation state, reacting with other shuttle molecules, electrodes, or electrolyte. Our goal is to study new redox shuttles that can undergo extended overcharge cycles. Therefore we are studying the stability of the radical cations formed in situ through spectroscopic techniques and performing DFT calculations simultaneously in order to observe a trend between experimental and computational results. The lack of extended cycles is not only due to stability of radical cations, but can also originate from possible reactions that can occur in battery conditions—intramolecular or intermolecular. Here we report results on radical cation stability and reactivity for possible redox shuttles in order to understand the possible mechanisms for the shuttle reaction in batteries.


University of Kentucky
American Chemical Society