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Published January 2022 | Supplemental Material
Journal Article Open

High Throughput Discovery of Complex Metal Oxide Electrocatalysts for the Oxygen Reduction Reaction


The oxygen reduction electrocatalysis is a key reaction for energy technologies such as fuel cells and air breathing batteries for which development of stable and efficient electrocatalysts remains a substantial challenge, especially when excluding precious metals. Multi-component metal oxides are complex materials that offer opportunities for catalyst development and challenges for prediction of optimal compositions. We use high throughput synthesis and electrochemistry to explore metal oxide electrocatalysts containing 1 to 4 of the elements Mg, Ca, Mn, Fe, Ni, Y, In, and La. Mining the resulting dataset of 7798 unique metal oxide compositions guides additional activity and stability experiments that reveal multiple avenues for further catalyst development based on (i) stabilization of Mn through incorporation in Mn-Ni–Fe oxides, (ii) discovery of Ni–Fe-La oxide electrocatalysts with excellent stability, and (iii) discovery of Mn-Ni–Fe-La oxide electrocatalysts that optimize activity while retaining excellent operational stability.

Additional Information

© The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021. Accepted 13 October 2021; Published 29 October 2021. This work was supported by the Toyota Research Institute through the Accelerated Materials Design and Discovery program. The authors declare no competing interests. Data Availability: The performance metrics from high throughput screening, including the activity at 0.63 V vs RHE used for the present work, are available at https://data.caltech.edu/records/1632 (https://doi.org/10.22002/D1.1632).

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August 22, 2023
October 23, 2023