Abstract
The adsorption of an armchair single-walled carbon nanotube (CNT) on fully and partially hydrogenated Si(001) surfaces are studied from first-principles calculations. Our results indicate that the electronic properties of the adsorbed CNT can be ruled by the H concentration along the CNT-HSi (001) contact region. On the fully hydrogenated Si(001), the CNT is physisorbed, preserving almost unchanged its metallic character. Removing a few of H atoms along the adsorption site, we find an enhancement on the CNT metallic character. In contrast, removing all the H atoms along the adsorption site, the adsorbed CNT becomes a semiconductor, exhibiting an energy gap. These results suggest that armchair CNTs adsorbed on HSi (001) could be transformed into metal-semiconductor junctions by grading the H concentration along the CNT-surface interface.
| Original language | English |
|---|---|
| Article number | 213111 |
| Pages (from-to) | 1-3 |
| Number of pages | 3 |
| Journal | Applied Physics Letters |
| Volume | 86 |
| Issue number | 21 |
| DOIs | |
| Publication status | Published - 23 May 2005 |
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)