Adhesion of rhodium, palladium and platinum to alumina and NO reaction on the resulting surfaces: Model calculations
- Cornell Univ., Ithaca, NY (United States)
The results of approximate molecular orbital computations of adhesion and NO reduction in The Three Way Catalyst, modeled by a monolayer of either Rh, Pd or Pt on the (0001)0 and (0001)Al faces of {alpha}-Al{sub 2}O{sub 3} will be reported. Platinum and palladium form stable interfaces with both oxygen and aluminum faces. Only the aluminum interface is stable with rhodium. Depending on the nature of the interface, the Fermi level of the composite systems varies dramatically. This, in turn, affects the adsorption mode, molecular or dissociative, of nitric oxide. From this study, it appears that an oxygen-platinum interface is best suited for both dissociative adsorption of NO as well as the coupling of two adsorbed nitrosyls to form a reduced dinitrosyl species with significant N-N double bond character.
- OSTI ID:
- 141990
- Report Number(s):
- CONF-930304-; TRN: 93:003688-1680
- Resource Relation:
- Conference: 205. American Chemical Society national meeting, Denver, CO (United States), 28 Mar - 2 Apr 1993; Other Information: PBD: 1993; Related Information: Is Part Of 205th ACS national meeting; PB: 1951 p.
- Country of Publication:
- United States
- Language:
- English
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