| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5349620 | Applied Surface Science | 2014 | 6 Pages |
Abstract
- DFT base investigations of urea molecule with various type of armchair BNNTs studied.
- The adsorption of urea molecule is observed to be exothermic and physical in nature.
- The most effective interaction occurs when urea located inside of BNNTs.
- The electronic analysis indicated ÎEg values changed after urea adsorption.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Alireza Najafi Chermahini, Abbas Teimouri, Hossein Farrokhpour,