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arXiv · 2308.03628

Designing Materials Acceleration Platforms for Heterogeneous CO2 Photo(thermal)catalysis

Andrew Wang·Carlota Bozal-Ginesta·Sai Govind Hari Kumar·Alán Aspuru-Guzik·Geoffrey A. Ozin
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Abstract

Materials acceleration platforms (MAPs) combine automation and artificial intelligence to accelerate the discovery of molecules and materials. They have potential to play a role in addressing complex societal problems such as climate change. Solar chemicals and fuels generation via heterogeneous CO2 photo(thermal)catalysis is a relatively unexplored process that holds potential for contributing towards an environmentally and economically sustainable future, and therefore a very promising application for MAP science and engineering. Here, we present a brief overview of how design and innovation in heterogeneous CO2 photo(thermal)catalysis, from materials discovery to engineering and scale-up, could benefit from MAPs. We discuss relevant design and performance descriptors and the level of automation of state-of-the-art experimental techniques, and we review examples of artificial intelligence in data analysis. Based on these precedents, we finally propose a MAP outline for autonomous and accelerated discoveries in the emerging field of solar chemicals and fuels sourced from CO2 photo(thermal)catalysis.

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Andrew Wang, Carlota Bozal-Ginesta, Sai Govind Hari Kumar, Alán Aspuru-Guzik, Geoffrey A. Ozin. 2023-08-07. Designing Materials Acceleration Platforms for Heterogeneous CO2 Photo(thermal)catalysis. https://doi.org/10.1016/j.matt.2023.03.015

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