On quantitative description of metal particles size effect in catalytic kinetics

Quantitative description for turnover frequency dependence on the metal cluster size for a two-step catalytic cycle was performed based on a thermodynamic approach, which accounts for changes of the chemical potential upon adsorption depending on the metal cluster size. Such analysis revealed a possibility for turnover frequency to exhibit a maximum. A very good correspondence between calculated and experimental data in hydrogenation and decarboxylation reactions over palladium was achieved.