Density functional theory calculations were performed to investigate the binding of NO on small Ag n Pd m clusters (n + m 6 5). NO prefers binding to Pd site when both Ag and Pd atoms co-exist in the cluster. Generally the binding energies increase as the Pd composition increases for the given clust
✦ LIBER ✦
Structure, stability, and magnetism of (CoRh)n (n ⩽ 5) alloy clusters: Density-function theory investigations
✍ Scribed by Jin Lv; Fu-Qiang Zhang; Xiao-Hong Xu; Hai-Shun Wu
- Book ID
- 108089142
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 1005 KB
- Volume
- 363
- Category
- Article
- ISSN
- 0301-0104
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