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.

OriginalsprogEngelsk
TidsskriftCatalysis Science and Technology
Vol/bind14
Udgave nummer8
Sider (fra-til)2105–2113
Antal sider9
ISSN2044-4753
DOI
StatusUdgivet - 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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