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

doi:https://doi.org/10.1039/c9ta03219c

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:

^[1];

^[2];

^[3];

^[4]

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

Publication Date:: 2019-01-01

Research Org.:: United Technologies Corporation, Farmington, CT (United States)

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

OSTI Identifier:: 1613712

DOE Contract Number:: AR0000767

Resource Type:: Journal Article

Journal Name:: Journal of Materials Chemistry. A

Additional Journal Information:: Journal Volume: 7; Journal Issue: 20; Journal ID: ISSN 2050-7488

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

Subject:: Chemistry; Energy & Fuels; Materials Science

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 States: N. p., 2019. 
        Web.  doi:10.1039/c9ta03219c.

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                    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 States.  https://doi.org/10.1039/c9ta03219c

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                    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 States.  https://doi.org/10.1039/c9ta03219c.

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@article{osti_1613712,

  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},

  url          = {https://www.osti.gov/biblio/1613712},
  journal      = {Journal of Materials Chemistry. A},

  issn         = {2050-7488},

  number       = 20,

  volume       = 7,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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

Abstract

Citation Formats

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Computational Calculation of Equilibrium Constants: Addition to Carbonyl Compounds journal, October 2009

An All-Organic Non-aqueous Lithium-Ion Redox Flow Battery
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A Total Organic Aqueous Redox Flow Battery Employing a Low Cost and Sustainable Methyl Viologen Anolyte and 4-HO-TEMPO Catholyte
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An Inexpensive Aqueous Flow Battery for Large-Scale Electrical Energy Storage Based on Water-Soluble Organic Redox Couples
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The Hard and Soft Acids and Bases Principle: An Atoms in Molecules Viewpoint
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