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- W3166902780 abstract "• Theoretical framework for cluster shape sensitive catalytic reactions. • Development of a general approach for derivation of size/shape dependent kinetics. • Analysis of turnover frequency for cuboctahedrons/cubes for different mechanisms. 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." @default.
- W3166902780 created "2021-06-22" @default.
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- W3166902780 date "2021-12-01" @default.
- W3166902780 modified "2023-09-25" @default.
- W3166902780 title "Kinetics of cluster shape sensitive heterogeneous catalytic reactions" @default.
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- W3166902780 doi "https://doi.org/10.1016/j.cej.2021.130642" @default.
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