| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5361511 | Applied Surface Science | 2012 | 6 Pages |
Abstract
⺠The SCNâ Adsorption on surface of AlN, AlP, and BP nanotubes were studied via density functional theory (DFT). ⺠The interaction of SCNâ on the electronic properties and the NBO charge distribution of mentioned configurations are investigated. ⺠The studies suggest that the adsorption energies of SCNâ on AlPNT is most notable in comparison with AlNNT and BPNT.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Alireza Soltani, Mohammad Ramezani Taghartapeh, Hossein Mighani, Amin Allah Pahlevani, Reza Mashkoor,