| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561513 | Computational Materials Science | 2012 | 4 Pages |
Abstract
⺠CO and NO adsorptions on Al12N12 nano-cage were investigated using DFT calculations. ⺠Calculated adsorption energies are â0.58 and â0.46 eV for CO and NO, respectively. ⺠Al12N12 cluster selectively detects the NO molecule in the presence of CO molecules.
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Computational Mechanics
Authors
Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri,