Abstract
The structural and electronic properties of a metallic single-walled carbon nanotube (CNT), adsorbed on hydrogenated Si(0 0 1) surfaces, have been investigated by first-principles calculations. We find that the electronic properties of the adsorbed CNT can be ruled by the H concentration along the CNT-H/Si(0 0 1) contact region. (i) On the fully hydrogenated Si(0 0 1), the CNT is physisorbed, preserving almost unchanged its metallic character. (ii) Removing half the H atoms along the adsorption site, we find an enhancement on the metallicity of the adsorbed CNT. (iii) When all the H atoms along the adsorption site are removed, the adsorbed CNT becomes semiconducting, exhibiting an energy gap. These results suggest that metallic CNTs adsorbed on H/Si(0 0 1) could be transformed into metal-semiconductor junctions by grading the H concentration along the CNT-surface interface.
| Original language | English |
|---|---|
| Pages (from-to) | 124-128 |
| Number of pages | 5 |
| Journal | Applied Surface Science |
| Volume | 244 |
| Issue number | 1-4 |
| DOIs | |
| Publication status | Published - 15 May 2005 |
| Event | 12th International Conference on Solid Films and Surfaces - Hammatsu, Japan Duration: 21 Jun 2004 → 25 Jun 2004 |
Keywords
- Ab-initio calculations
- Carbon nanotube
- Silicon surface
ASJC Scopus subject areas
- General Chemistry
- Condensed Matter Physics
- General Physics and Astronomy
- Surfaces and Interfaces
- Surfaces, Coatings and Films