Screening Viologen Derivatives for Neutral Aqueous Organic Redox Flow Batteries. Issue 9 (19th March 2020)

• Record Type: Journal Article
• Authors: Liu, Yahua; Li, Yuanyuan; Zuo, Peipei; Chen, Qianru; Tang, Gonggen; Sun, Pan; Yang, Zhengjin; Xu, Tongwen
• Is Part Of: ChemSusChem. Volume 13:Issue 9(2020)
• Page Start: 2245
• Page End: 2249
• Publication Date: 2020-03-19
• Subjects: aqueous organic flow battery -- DFT calculations -- electrolytes -- energy storage -- viologen derivatives; Green chemistry -- Periodicals; Sustainable engineering -- Periodicals; Chemistry -- Periodicals; Chemical engineering -- Periodicals; 660
• DOI: 10.1002/cssc.202000381
• Languages: English
• ISSNs: 1864-5631

Abstract

Abstract: Viologen derivatives have been developed as negative electrolyte for neutral aqueous organic redox flow batteries (AOFBs), but the structure–performance relationship remains unclear. Here, it was investigated how the structure of viologens impacts their electrochemical behavior and thereby the battery performance, by taking hydroxylated viologens as examples. Calculations of frontier molecular orbital energy and molecular configuration promise to be an effective tool in predicting potential, kinetics, and stability, and may be broadly applicable. Specifically, a modified viologen derivative, BHOP‐Vi, was proved to be the most favorable structure, enabling a concentrated 2 m battery to exhibit a power density of 110.87 mW cm −2 and an excellent capacity retention rate of 99.953 % h −1 . Abstract : Electrolyte design : Viologen derivatives have been developed as negative electrolyte for neutral aqueous organic redox flow batteries (AOFBs), but the structure–performance relationship remains unclear. DFT calculations bridge structural and electrochemical properties of redox‐active viologens, enabling rational design and synthesis of aqueous flow battery electrolytes.