| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1553855 | Superlattices and Microstructures | 2013 | 7 Pages |
Abstract
⺠Fluorination of AlN nanotube with one to four F atom(s) investigated using DFT. ⺠F atoms preferably tend to be chemisorbed on Al atoms of the tube surface. ⺠HOMO/LUMO gap (Eg) of the tube is reduced in all of the cases for F adsorptions. ⺠The Eg is much reduced when the number of adsorbed F atom(s) is odd. ⺠Fluorination of the tube with odd number of F transforms it to p-type semiconductor.
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Authors
Mohammad T. Baei, Ali Ahmadi Peyghan, Zargham Bagheri,