Kinetics of cluster shape sensitive heterogeneous catalytic reactions

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Sammanfattning

The theoretical framework for analysis of heterogeneous catalytic reactions on metals clusters sensitive to the cluster shape has been developed. Cubooctahedrons, cubes and semi-spherical particles have been considered having a different number of edge, corner, terrace and perimeter sites. A general expression of size/shape dependent kinetics is derived for multi-step reactions relating the Gibbs energy for elementary steps, comprising the reaction network, with the Gibbs energy of adsorbed intermediates on different sites. A comparison of the turnover frequency for catalytic reactions on cuboctahedrons and cubes of the same size is provided for a two-step sequence and a Langmuir-Hinshelwood mechanism.

OriginalspråkEngelska
Artikelnummer130642
TidskriftChemical Engineering Journal
Volym425
Tidigt onlinedatum5 jun 2021
DOI
StatusPublicerad - 1 dec 2021
MoE-publikationstypA1 Tidskriftsartikel-refererad

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