Data-driven Research for Aqueous Organic Redox Flow Batteries

Aqueous organic redox active materials have recently shown great promise as alternatives to transition metal ions as energy-bearing active materials in redox flow batteries for large-scale energy storage due to their structural tunability, cost-effectiveness, availability, and safety features. However, development to date has been limited to a small palette of aqueous soluble organics. This presentation will provide an overview of a data-driven approach to accelerate the discovery and development of aqueous organic redox-active molecules for flow batteries, including database curation, structure-property correlation, and automated property characterization and performance testing developed in PNNL’s ARES (Automated Robotics for Energy Storage) lab.<br/><br/>Reference:<br/>P. Gao, etc. “SOMAS: a platform for data-driven material discovery in redox flow battery development”, <i>Scientific Dat</i>a, <b>9</b>, 740, 2022<br/>Y. Liang, etc “High-throughput solubility determination for data-driven materials design and discovery in redox flow battery research” <i>Cell Reports Physical Science</i> <b>4</b>, 101633, 2023