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

Abstract

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.

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [4]
  1. Department of Chemistry and Chemical Biology, Harvard University, Cambridge, USA
  2. Department of Chemistry and Chemical Biology, Harvard University, Cambridge, USA, Harvard John A. Paulson School of Engineering and Applied Sciences
  3. Harvard John A. Paulson School of Engineering and Applied Sciences, Cambridge, USA
  4. Department of Chemistry and Chemical Biology, Harvard University, Cambridge, USA, Department of Chemistry and Department of Computer Science
Publication Date:
Sponsoring Org.:
USDOE Advanced Research Projects Agency - Energy (ARPA-E)
OSTI Identifier:
1511869
Grant/Contract Number:  
AR0000767
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Materials Chemistry A
Additional Journal Information:
Journal Name: Journal of Materials Chemistry A; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Tabor, Daniel P., Gómez-Bombarelli, Rafael, Tong, Liuchuan, Gordon, Roy G., Aziz, Michael J., and Aspuru-Guzik, Alán. Mapping the frontiers of quinone stability in aqueous media: implications for organic aqueous redox flow batteries. United Kingdom: N. p., 2019. Web. doi:10.1039/C9TA03219C.
Tabor, Daniel P., Gómez-Bombarelli, Rafael, Tong, Liuchuan, Gordon, Roy G., Aziz, Michael J., & Aspuru-Guzik, Alán. Mapping the frontiers of quinone stability in aqueous media: implications for organic aqueous redox flow batteries. United Kingdom. doi:10.1039/C9TA03219C.
Tabor, Daniel P., Gómez-Bombarelli, Rafael, Tong, Liuchuan, Gordon, Roy G., Aziz, Michael J., and Aspuru-Guzik, Alán. Tue . "Mapping the frontiers of quinone stability in aqueous media: implications for organic aqueous redox flow batteries". United Kingdom. doi:10.1039/C9TA03219C.
@article{osti_1511869,
title = {Mapping the frontiers of quinone stability in aqueous media: implications for organic aqueous redox flow batteries},
author = {Tabor, Daniel P. and Gómez-Bombarelli, Rafael and Tong, Liuchuan and Gordon, Roy G. and Aziz, Michael J. and Aspuru-Guzik, Alán},
abstractNote = {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.},
doi = {10.1039/C9TA03219C},
journal = {Journal of Materials Chemistry A},
number = ,
volume = ,
place = {United Kingdom},
year = {2019},
month = {1}
}

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Works referenced in this record:

Computational design of molecules for an all-quinone redox flow battery
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  • Huskinson, Brian; Marshak, Michael P.; Suh, Changwon
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