Effective Design Strategy of Small Bipolar Molecules through Fused Conjugation toward 2.5 V Based Redox Flow Batteries

[Image: see text] Using bipolar redox-active molecules (BRMs) as active materials is a practical way to address electrolyte crossover and resultant unpredictable side reactions in redox-flow batteries. However, the development of BRMs is greatly hindered by difficulties in finding new molecules from limited redox-active moieties and in achieving high cell voltage to compete with existing flow battery chemistries. This study proposes a strategy for design of high-voltage BRMs using fused conjugation that regulates the redox potential of integrated redox-active moieties. As a demonstration, quaternary N and ketone redox moieties are used to construct a new BRM that shows a prominent voltage gap with good electrochemical stability. A symmetrical redox-flow cell based on this molecule exhibits a high voltage of 2.5 V and decent cycling stability. This study provides a general strategy for designing new BRMs that may enrich the cell chemistries of organic redox-flow batteries.