Výsledky vyhledávání - "Simeon D. Beinlich"

Field Effects at Protruding Defect Sites in Electrocatalysis at Metal Electrodes?

Autor: Simeon D. Beinlich, Nicolas G. Hörmann, Karsten Reuter

Publikováno v: ACS Catalysis

Potential dependencies of adsorption energies at metal electrodes are often interpreted in terms of a dipole-field interaction picture. Classical electrostatics would then suggest particularly strong dependencies at protruding defect sites like steps

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::757c58b896afbc50d002609b32035f5a
https://hdl.handle.net/21.11116/0000-000A-AA73-521.11116/0000-000A-A96A-1

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Kinetics-Based Computational Catalyst Design Strategy for the Oxygen Evolution Reaction on Transition-Metal Oxide Surfaces

Autor: Craig P. Plaisance, Simeon D. Beinlich, Karsten Reuter

Publikováno v: The Journal of Physical Chemistry C. 123:8287-8303

Density functional theory was used to examine the oxygen evolution reaction on a large number of active sites formed by doping three different surfaces of Co3O4 with various 3d transition-metal atoms. By combining the scaling and Bronsted–Evans–P

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5571119f36eb3740872fead2154d951b
https://doi.org/10.1021/acs.jpcc.8b08549

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