An enormous body of experimental data on the effect of the particle size of the active component of a catalyst on the specific catalytic activity. This parameter is not related to the total surface of the catalyst active phase or to the number of active sites; therefore, they characterize the properties of the active site itself. As a step toward understanding how the structure of catalyst particles affects these functions, we have studied the effect of the size of Cobalt clusters, including the infinite Co (100) surface, on the energy of adsorption of carbon monoxide. The calculated results show that adsorption energy of carbon monoxide increase by decreasing of cluster size.

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