Resumen
We report first-principles calculations on the adsorption of an armchair (6,6) single-walled carbon nanotube (CNT) on the Si(001) surface. We study several well-ordered adsorption configurations for the nanotube on the Si surface. Our results show stable geometries between two consecutive Si-dimer rows (the surface trench). The binding energy per tube length for the CNT in the most stable geometry is calculated to be 0.2 eV/Å. In this geometry, we observe the formation of C-Si chemical bonds. The density of states along the dimer rows for the lowest-energy adsorbed configuration shows an increase in the number of states at the Fermi level. This suggests an enhancement of the nanotube metallic character throughout the contact with the Si surface due to the formation of the C-Si bonds. These properties may lead to consider metallic CNTs as one-dimensional wires on the silicon surface with promising applications for contact and interconnections of future nanoscale electronic devices.
| Idioma original | English |
|---|---|
| Páginas (desde-hasta) | 728-732 |
| Número de páginas | 5 |
| Publicación | Surface Science |
| Volumen | 566-568 |
| N.º | 1-3 PART 2 |
| DOI | |
| Estado | Published - 20 sep 2004 |
| Evento | Proceedings of the 22nd European Conference on Surface Science - Prague, Czech Republic Duración: 7 sep 2003 → 12 sep 2003 |
Huella dactilar
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Condensed Matter Physics
- Surfaces and Interfaces
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Stability and electronic properties of carbon nanotubes adsorbed on Si(0 0 1). / Orellana, W.; Miwa, R. H.; Fazzio, A.
En: Surface Science, Vol. 566-568, N.º 1-3 PART 2, 20.09.2004, p. 728-732.Resultado de la investigación: Conference article
TY - JOUR
T1 - Stability and electronic properties of carbon nanotubes adsorbed on Si(0 0 1)
AU - Orellana, W.
AU - Miwa, R. H.
AU - Fazzio, A.
PY - 2004/9/20
Y1 - 2004/9/20
N2 - We report first-principles calculations on the adsorption of an armchair (6,6) single-walled carbon nanotube (CNT) on the Si(001) surface. We study several well-ordered adsorption configurations for the nanotube on the Si surface. Our results show stable geometries between two consecutive Si-dimer rows (the surface trench). The binding energy per tube length for the CNT in the most stable geometry is calculated to be 0.2 eV/Å. In this geometry, we observe the formation of C-Si chemical bonds. The density of states along the dimer rows for the lowest-energy adsorbed configuration shows an increase in the number of states at the Fermi level. This suggests an enhancement of the nanotube metallic character throughout the contact with the Si surface due to the formation of the C-Si bonds. These properties may lead to consider metallic CNTs as one-dimensional wires on the silicon surface with promising applications for contact and interconnections of future nanoscale electronic devices.
AB - We report first-principles calculations on the adsorption of an armchair (6,6) single-walled carbon nanotube (CNT) on the Si(001) surface. We study several well-ordered adsorption configurations for the nanotube on the Si surface. Our results show stable geometries between two consecutive Si-dimer rows (the surface trench). The binding energy per tube length for the CNT in the most stable geometry is calculated to be 0.2 eV/Å. In this geometry, we observe the formation of C-Si chemical bonds. The density of states along the dimer rows for the lowest-energy adsorbed configuration shows an increase in the number of states at the Fermi level. This suggests an enhancement of the nanotube metallic character throughout the contact with the Si surface due to the formation of the C-Si bonds. These properties may lead to consider metallic CNTs as one-dimensional wires on the silicon surface with promising applications for contact and interconnections of future nanoscale electronic devices.
KW - Carbon
KW - Chemisorption
KW - Density functional calculations
KW - Silicon
KW - Surface electronic phenomena (work function, surface potential, surface states, etc.)
UR - http://www.scopus.com/inward/record.url?scp=4544376185&partnerID=8YFLogxK
U2 - 10.1016/j.susc.2004.06.006
DO - 10.1016/j.susc.2004.06.006
M3 - Conference article
VL - 566-568
SP - 728
EP - 732
JO - Surface Science
JF - Surface Science
SN - 0039-6028
IS - 1-3 PART 2
ER -