Density Functional Study of the Interaction of Palladium Clusters with Hydrogen and CH x Species
✍ Scribed by Bertani, Valeria; Cavallotti, Carlo; Masi, Maurizio; Carrà, Sergio
- Book ID
- 125943675
- Publisher
- American Chemical Society
- Year
- 2000
- Tongue
- English
- Weight
- 313 KB
- Volume
- 104
- Category
- Article
- ISSN
- 1089-5639
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## Abstract The adsorption of NO molecules on small Pd~__n__~ (__n__ = 1−6) clusters has been studied using first‐principles density‐functional theory. Three adsorption sites were considered: vertex (on–top), bridge, and hollow. Adsorption is strong, ranging from 2 to 3 eV. In all cases NO adsorbs