Bypassing the scaling relations in oxygen electrocatalysis with geometry-adaptive catalysts
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This communication introduces the concept of geometry-adaptive electrocatalysis, where a catalyst adjusts its geometry during the reaction. A model system of metal–nitrogen–carbon (M–N–C) catalysts – the dual-atom site 2Co–N4 of variable curvature – proves the concept from the first principles. Density functional theory calculations show how cycling the curvature effect with a geometry adaptation bypasses the scaling relations. Thus, in theory, geometry-adaptive electrocatalysis offers a promising direction to address the current stagnation in the experimentally measured overpotential for oxygen evolution and reduction reactions. It also indicates the possibility of discovering the ideal oxygen electrocatalyst.
Originalsprog | Engelsk |
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Tidsskrift | Catalysis Science and Technology |
Vol/bind | 14 |
Udgave nummer | 8 |
Sider (fra-til) | 2105–2113 |
Antal sider | 9 |
ISSN | 2044-4753 |
DOI | |
Status | Udgivet - 2024 |
Bibliografisk note
Funding Information:
V. I. and J. R. acknowledge the Danish National Research Foundation Centers of Excellence, The Center for High Entropy Alloys Catalysis (Project DNRF149), and the Independent Research Fund Denmark, grant no. 0217-00014B. V. I. receives funding from the European Union's Horizon 2020 research and innovation program under the Marie Skłodowska-Curie grant agreement no. 101031656. This research was also supported by the Estonian Research Council grant PSG250 and by the Estonian Ministry of Education and Research (TK210).
Publisher Copyright:
© 2024 The Royal Society of Chemistry
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