Predicting the Solubility of Organic Energy Storage Materials Based on Functional Group Identity and Substitution Pattern.

Organic electrode materials (OEMs) provide sustainable alternatives to conventional electrode materials based on transition metals. However, the application of OEMs in lithium-ion and redox flow batteries requires either low or high solubility. Currently, the identification of new OEM candidates relies on chemical intuition and trial-and-error experimental testing, which is costly and time intensive.