Density functional theory study of the adsorption of formaldehyde on [Pd.sub.4] and on P[d.sub.4]/[gamma]-[Al.sub.2][O.sub.3] clusters

The cluster model approach was used to study formaldehyde adsorption on models of the (111) surface of palladium and of palladium supported on the (110C) surface of [gamma]-[Al.sub.2][O.sub.3]. The analysis from natural bond orbital (NBO) showed that the highly coordinated octahedral aluminum atoms of [Al.sub.10][O.sub.15] donate electron density to the supported P[d.sub.4] cluster, while tetrahedral aluminum atoms with lower coordination number have acidic nature.