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The microscopic adsorption properties of molecules including SO 2 on ultrafine precious metal particles such as Pd and Pt were investigated using density functional quantum chemical calculations. The precious metal particles which are used as the activation sites in a three-way catalyst (TWC) were modeled by Pd 3 and Pt 3 clusters. The adsorption energies (E ad ...
Adsorption and activation properties of precious metal clusters such as Ir, Pt, and Au toward NO were investigated by means of the density functional calculations. We focused on the geometrical features of model clusters such as the shape and the number of consisting atoms that could determine the ability for the adsorption and the activation of NO. We found that the order of the energetical stability...
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