| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5361510 | Applied Surface Science | 2012 | 6 Pages |
Abstract
⺠Adsorption of 1, 2, 3, and 12 F atom(s) on the Al12N12 cluster studied by DFT. ⺠F atom strongly prefers to be adsorbed on Al site of the cluster rather than N one. ⺠Average ÎG is about â93.2 to 98.0 kcal/mol at 298 K and 1 atm. ⺠ÎH of reaction is slightly increased by increasing the number of F atoms. ⺠The cluster it is transferred from intrinsic semiconductor to p-type one.
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Authors
Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri,