| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5395283 | Computational and Theoretical Chemistry | 2011 | 4 Pages |
Abstract
⺠We present ab initio study of covalently amino-functionalized carbon nanotubes. ⺠Relationship between size of CNT and their properties was analyzed and discussed. ⺠Binding energies, charge transfer and structural properties were calculated. ⺠The stability of amine group is favored for narrower nanotubes. ⺠The addition of NH2 group changes drastically the electronic structure of CNT.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Bessem Ben Doudou, Jun Chen, Alexandre Vivet, Christophe Poîlane, M'hamed Ayachi,