Closed-loop Design of Diquats for Use as Electrolytes in Redox Flow Battery Systems

Grid energy-storage is indispensable for balancing daily and seasonal fluctuations in the energy generation especially for renewable energy resources. Among several promising battery technologies, redox flow batteries, possess competitive advantage for large-scale grid-energy storage as their capacity is scalable, and their costs are dominated by the negative and positive electrolytes. Discovery of cost-efficient electrolytes that are composed of environmentally safe and earth-abundant elements is the most crucial task for the development of flow batteries, which is time-limited by the conventional trial and error approach. The proposed project aims at discovery of organic electrolytes using a closed-loop process, where properties of chemicals are predicted using machine learning and physical models and the lead candidates are synthesized and characterized using robotic systems.

Yang Cao
Faculty Supervisor: 
Alán Aspuru-Guzik
Partner University: