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We have studied the adsorption of NO on small Rh clusters, containing one tofive atoms, using density functional theory in both spin-polarized andnon-spin-polarized forms. We find that NO bonds more strongly to Rh clustersthan it does to Rh(100) or Rh(111); however, it also quenches the magnetism ofthe clusters. This (local) effect results in reducing the magnitude of theadsorption energy, and also washes out the clear size-dependent trend observedin the non-magnetic case. Our results illustrate the competition presentbetween the tendencies to bond and to magnetize, in small clusters.

Interplay between Bonding and Magnetism in the Adsorption of NO on Rh Clusters