High-throughput solubility determination for data-driven materials design and discovery in redox flow battery research

Liang, Yangang; Job, Heather M.; Feng, Ruozhu; Parks, Fred C.; Hollas, Aaron M.; Zhang, Xin; Bowden, Mark E.; Noh, Juran; Murugesan, Vijayakumar; Wang, Wei

doi:10.1016/j.xcrp.2023.101633

Title: High-throughput solubility determination for data-driven materials design and discovery in redox flow battery research

Journal Article · 09 October 2023 · Cell Reports Physical Science

DOI: https://doi.org/10.1016/j.xcrp.2023.101633 · OSTI ID:2204720

Liang, Yangang ^[1]; Job, Heather M. ^[1]; Feng, Ruozhu ^[1]; Parks, Fred C. ^[1]; Hollas, Aaron M. ^[1]; Zhang, Xin ^[1]; Bowden, Mark E. ^[1]; Noh, Juran ^[1];

^[1];

^[1]

Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Solubility is crucial for redox flow batteries because it affects their energy density. A data-driven approach based on artificial intelligence/machine learning models can accelerate the development of highly soluble redox-active materials, but the lack of relevant, large-quantity data makes accurate solubility prediction difficult. To overcome this deficiency, we developed a high-throughput experimentation process that combines a robotically controlled platform with high-throughput methodology to collect large-scale and high-quality solubility data. We demonstrate the potential utility and applicability of this high-throughput process by measuring the aqueous and non-aqueous solubilities of redox-active materials and studying the effect of additives on their solubilities for both aqueous and non-aqueous redox flow battery applications. A redox flow battery based on our optimized negative electrolyte formulation and a ferrocyanide-positive electrolyte offers highly stable performance over 18 days (>100 cycles) with consistent capacity and a 24% boost in energy density.

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Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Electricity (OE)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 2204720

Report Number(s):: PNNL-SA--182963

Journal Information:: Cell Reports Physical Science, Journal Name: Cell Reports Physical Science Journal Issue: 10 Vol. 4; ISSN 2666-3864

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Title: High-throughput solubility determination for data-driven materials design and discovery in redox flow battery research

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