| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5395050 | Computational and Theoretical Chemistry | 2011 | 6 Pages |
Abstract
⺠The B site V-doped (4,4) BNNT system is half-metal while the BN1 site TM-doped (4,4) BNNT systems are metallicity. ⺠Overall charges transfer from the TM atoms to BNNT. ⺠The substitution of doping by TM enhances the chemical reactivity and significantly increases the conductivity of pure BNNT. ⺠The TM-doped BNNT systems have larger magnetic moment.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
You Xie, Jian-Min Zhang,