2011
DOI: 10.1590/s0100-40422011000900008
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Interação de átomos leves com clusters de metais de transição

Abstract: Recebido em 1/11/10; aceito em 28/4/11; publicado na web em 14/6/11 INTERACTION OF SMALL ATOMS WITH TRANSITION METAL CLUSTERS. Density Functional Theory (DFT) calculations on the interactions of small atoms (H, C, O, and S) on first-row transition metal clusters were performed. The results show that the adsorption site may vary between the metal surface and the edge of the cluster. The adsorption energies, adatom-nearest neighbor and adatom-metal plane distances were also determined. Finally, the authors prese… Show more

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