Computational design of quinone electrolytes for redox ow batteries using high-throughput machine learning and theoretical calculations

HIGHLIGHTS

• who: . et al. from the Praxair, United States Auburn University, United States have published the research: Computational design of quinone electrolytes for redox ow batteries using high-throughput machine learning and theoretical calculations, in the Journal: (JOURNAL)
• what: Although, the derivatives of 1, 10-AQ are very unstable and difficult to synthesize by chemical means, for the work the authors are currently considering only the target properties of the virtual molecule to determine whether it has potential as a battery-active material.
• how: The predicted results are shown in Figure 4.

 

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