Mapping the frontiers of quinone stability in aqueous media: implications for organic aqueous redox flow batteries

Tabor, Daniel P.; Gómez-Bombarelli, Rafael; Tong, Liuchuan; Gordon, Roy G.; Aziz, Michael J.; Aspuru-Guzik, Alán

doi:10.1039/c9ta03219c

Mapping the frontiers of quinone stability in aqueous media: implications for organic aqueous redox flow batteries

Journal Article · 01 January 2019 · Journal of Materials Chemistry. A

DOI:https://doi.org/10.1039/c9ta03219c· OSTI ID:1613712

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Department of Chemistry and Chemical Biology; Harvard University; Cambridge; USA
Department of Chemistry and Chemical Biology; Harvard University; Cambridge; USA; Harvard John A. Paulson School of Engineering and Applied Sciences
Harvard John A. Paulson School of Engineering and Applied Sciences; Cambridge; USA
Department of Chemistry and Chemical Biology; Harvard University; Cambridge; USA; Department of Chemistry and Department of Computer Science

The stability limits of quinones, molecules that show promise as redox-active electrolytes in aqueous flow batteries, are explored for a range of backbone and substituent combinations with high-throughput virtual screening.

Research Organization:: United Technologies Corporation, Farmington, CT (United States)

Sponsoring Organization:: USDOE Advanced Research Projects Agency - Energy (ARPA-E)

DOE Contract Number:: AR0000767

OSTI ID:: 1613712

Journal Information:: Journal of Materials Chemistry. A, Vol. 7, Issue 20; ISSN 2050-7488

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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