The Governing Council of the University of Toronto

Published purpose

The Project seeks to develop a combined high-throughput experimental and density functional theory workflow that is informed by artificial intelligence to discover novel high entropy oxide oxygen evolution reaction (OER) catalysts. Unique powder synthesis and characterization capabilities to systematically discover new earth abundant, high activity, acid stable catalysts comparable to the current state of the art will be developed. Computational tools will be used to systematically explore the stability and catalytic activity of compositionally diverse catalysts and elucidate the mechanism of high performing materials. The experimental and computational data will be combined into a common database along with the associated meta-data and descriptors, which will be used to train artificial intelligence models to guide subsequent exploration. Promising materials will be optimized and characterized in full electrolyzer stacks. All data and code generated through this program will be released publicly to benefit all Canadians.