Adhesion of rhodium, palladium, and platinum to alumina and the reduction of nitric oxide on the resulting surfaces: a theoretical analysis
JournalArticle (Originalarbeit in einer wissenschaftlichen Zeitschrift)
 
ID 116785
Author(s) Ward, Thomas R.; Alemany, Pere; Hoffmann, Roald
Author(s) at UniBasel Ward, Thomas R.
Year 1993
Title Adhesion of rhodium, palladium, and platinum to alumina and the reduction of nitric oxide on the resulting surfaces: a theoretical analysis
Journal The Journal of physical chemistry
Volume 97
Number 29
Pages / Article-Number 7691-7699
Keywords Platinum-group metals Role: PRP (Properties) (adhesion of, on alumina support, MO study of); Exhaust gases (catalysts for treatment of, platinum-group metal-alumina, metal-support adhesion effects in); Adsorption (of nitric oxide, on platinum-group metals on alumina support); Energy level (of platinum-group metal-alumina catalyst); Adhesion (of platinum-group metals, on alumina support); Reduction catalysts (platinum-group metal-alumina, for nitric oxide, metal-support adhesion effects in); adhe
Abstract Approx. MO calcns. were made of adhesion and NO redn. in the 3-way catalyst (modeled by a monolayer of either Rh, Pd, or Pt on the (0001)O and (0001)Al faces of ?±-Al2O3). The support is not electronically innocent, but affects NO redn. capability significantly. Both Pt and Pd form stable interfaces with both O and Al faces. Only the Al interface is stable with Rh. Depending on the nature of the interface, the Fermi level of the composite systems varies dramatically. This, in turn, affects the adsorption mode (mol. or dissociative) of NO. Apparently, an O-Pt interface is best suited for both dissociative adsorption of NO as well as the coupling of 2 adsorbed nitrosyls to form a reduced dinitrosyl species with significant N-N double-bond character.
Publisher American Chemical Society
ISSN/ISBN 0022-3654
edoc-URL http://edoc.unibas.ch/dok/A5254500
Full Text on edoc No
Digital Object Identifier DOI 10.1021/j100131a044
 
   

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