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Chemicals, plastics and rubber industries

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Adsorption of small palladium clusters on the relaxed alpha- Al2O3 (0001) surface

Article Abstract:

The interaction of small Pdn clusters (n=3, 4) with the relaxed Al- terminated alpha- Al2O3 (0001) surface was investigated using embedded cluster and periodic slab models within a first principles density functional approach. The study concluded that the structure of supported Pd3 is largely distorted from the gas phase equilibrium geometry whereas the structure of supported Pd4 is less distorted and reminiscent of the most stable gas phase isomer.

Science & research, Aluminum Oxide, Research, Adsorption

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Inclined N(sub 2) desorption in a steady-state N(sub 2)O + CO reaction on Pd(110)

Article Abstract:

The study conducted revealed that the N(sub 2)O + CO reaction on Pd(110) steadily proceeded above 450K and the N(sub 2) desorption sharply collimated along 45 degree off the normal toward the [001] direction. The N(sub 2)O(a) intermediate in the latter was proposed to emit N(sub 2) in the inclined way compared with the desorption of products in the NO + CO reaction.

Industrial Gas Manufacturing, Industrial gases, Carbon Monoxide

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Ab inito MO study of the structures of N(sub 2), NO, and CO molecules coordinated to the Pd(sub n) (n=1, 2, 5, 25) clusters as a model of Pd(110)surface

Article Abstract:

The geometric and electronic structures of the N(sub 2), NO, and CO molecules coordinated to the Pd clusters Pd(sub n) (n=1, 2, 5, 25), as a model of Pd(110) surface, were studied using ab inito MO model. The coordination structure of the above molecules depends on the nature of the interaction of these molecules with the Pd clusters and on the Pd cluster model.

Observations, Chemical reactions

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