Using self-consistent calculations based on density functional theory we demonstrate that clusters with reduced chemical reactivity can be designed by suitably varying their size and composition. Analogous to the rare-gas atoms, clusters with closed electronic shells are found to be less reactive to
✦ LIBER ✦
Shell-dependent reactivity of sodium clusters with oxygen
✍ Scribed by T. Lange; H. Göhlich; U. Näher; T.P. Martin
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 183 KB
- Volume
- 192
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Variations in the reactivity of Nan for 100 ~< n ~< 800 with molecular oxygen are reported. They can be understood in terms of the recently observed large electronic shell closing effects in sodium clusters.
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