On the cluster convergence of chemisorption energies
✍ Scribed by Itai Panas; Josef Schüle; Per Siegbahn; Ulf Wahlgren
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 806 KB
- Volume
- 149
- Category
- Article
- ISSN
- 0009-2614
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📜 SIMILAR VOLUMES
A theory is proposed to obtain a realistic description of a large cluster in problems involving chemisorption and similar surface phenomena.
Molecular oxygen chemisorption on copper clusters has been studied using a jellium description of the clusters. Calculations were performed in the framework of the local spin density approximation and the density was expanded according to the MO-LCAO method. To evaluate the applicability of this app
Mass-selected silicon clusters were levitated in a Fourier transform ion cyclotron resonance mass spectrometer (FL ICR), and monitored during chemisorption reaction with ethylene. The reactivity of the six positively charged clusters studied here varied sharply as a function of cluster size, indicat