Bypassing the scaling relations in oxygen electrocatalysis with geometry-adaptive catalysts
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Bypassing the scaling relations in oxygen electrocatalysis with geometry-adaptive catalysts. / Cepitis, Ritums; Ivaništšev, Vladislav; Rossmeisl, Jan; Kongi, Nadezda.
I: Catalysis Science and Technology, Bind 14, Nr. 8, 2024, s. 2105–2113.Publikation: Bidrag til tidsskrift › Letter › Forskning › fagfællebedømt
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TY - JOUR
T1 - Bypassing the scaling relations in oxygen electrocatalysis with geometry-adaptive catalysts
AU - Cepitis, Ritums
AU - Ivaništšev, Vladislav
AU - Rossmeisl, Jan
AU - Kongi, Nadezda
N1 - Publisher Copyright: © 2024 The Royal Society of Chemistry
PY - 2024
Y1 - 2024
N2 - 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.
AB - 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.
U2 - 10.1039/d4cy00036f
DO - 10.1039/d4cy00036f
M3 - Letter
AN - SCOPUS:85188017227
VL - 14
SP - 2105
EP - 2113
JO - Catalysis Science and Technology
JF - Catalysis Science and Technology
SN - 2044-4753
IS - 8
ER -
ID: 389362215