Theoretical study of the adsorption of H on Si n clusters, (n=3-10)
A recently proposed local Fukui function is used to predict the binding site of atomic hydrogen on silicon clusters. To validate the predictions, an extensive search for the more stable Sin H (n=3-10) clusters has been done using a modified genetic algorithm. In all cases, the isomer predicted by th...
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| Autores principales: | Tiznado, W., Ona, O.B., Bazterra, V.E., Caputo, M.C., Facelli, J.C., Ferraro, M.B., Fuentealba, P. |
|---|---|
| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00219606_v123_n21_p_Tiznado |
| Aporte de: |
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