With density functional calculations, we explored the successive adsorption of hydrogen on tetrahedrally shaped zeolite-supported M 4 clusters (M = Rh, Ir, and Pt). Similarly to our earlier results for models of Ir 4, hydrogen adsorption on Rh 4 and Pt 4 causes an increase of the metal−metal distances. The type of metal strongly affects the adsorption energy of hydrogen, and the optimum H/M ratio varies with the metal, being ∼2 for Rh and ∼3 for Ir and Pt. As judged by the core-level shifts and atomic charges, Rh and Pt clusters are oxidized through interactions with the support and the hydrogen ligands, similarly to our earlier findings for Ir 4 .
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Petkov et al. (2010) studied this question.
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