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The experimentally proposed models for bidirectional N 2 desorption in the thermal decomposition of N 2 O over Pd(110) were examined by calculating the adsorption energy and structure of adsorbed N 2 O using density functional theory with the generalised gradient approximation. Two stable on-top adsorption forms were found, i.e. N 2 O either adsorbs in a tilted form...
The adsorption of nitrous oxide, N 2 O, on Pd(110) has been studied with density-functional theory using cluster and slab models of the surface. The slab model predicts that the N 2 O is bonded weakly to the surface forming two different adsorbed moieties, with N 2 O either adsorbed in a tilted form with the terminal N atom attached to the surface, or lying horizontally on...
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