| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5358725 | Applied Surface Science | 2014 | 8 Pages |
Abstract
- The adsorption phenomena of H2S, HS, H2O2, and H2CO upon Ga-doped (8, 0) and (5, 5) BN nanotubes are studied using DFT calculations.
- The significant charge transfers confirm the DOS changes near the Fermi level.
- The interaction energies introduce Ga-doped (8, 0) BNNT as a promising sensor.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Mohammad T. Baei, Yasser Kanani, Vahid Joveini Rezaei, Alireza Soltani,