| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1545979 | Physica E: Low-dimensional Systems and Nanostructures | 2012 | 5 Pages |
Abstract
⺠The H atom adsorption is thermodynamically feasible on the both P and Al atoms of the Al12P12 cluster. ⺠The two H atoms prefer to adsorb on the top sites of two Al atoms of a 4-membered ring of the cluster surface. ⺠The HOMO/LUMO gap of Al12P12 is dramatically reduced upon H adsorption on its P atoms. ⺠The average binding energy of two H atoms is obviously found to be greater than that of one H atom.
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Authors
Ali Ahmadi Peyghan, Mansoureh Pashangpour, Zargham Bagheri, Mohammad Kamfiroozi,