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- W4319461641 abstract "Phenazines are an emerging class of organic compounds that have been recently utilized in aqueous redox flow batteries, a promising technology for large-scale energy storage. A virtual screening based on density functional theory calculations is used to investigate the redox potentials of around 100 phenazine derivatives in aqueous media containing various electron-donating or electron-withdrawing groups at different positions. The calculations identify the crucial positions that should be functionalized with multiple hydroxy groups to design new anolytes. The combined experimental-computational methodology reported herein guides the development of a new molecule with a record low reversible redox potential as a potential anolyte for aqueous redox flow batteries." @default.
- W4319461641 created "2023-02-09" @default.
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- W4319461641 date "2023-03-09" @default.
- W4319461641 modified "2023-09-26" @default.
- W4319461641 title "A Systematic Study on the Redox Potentials of Phenazine‐Derivatives in Aqueous Media: A Combined Computational and Experimental Work" @default.
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- W4319461641 doi "https://doi.org/10.1002/cssc.202201984" @default.
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