Stability and electronic properties of carbon nanotubes adsorbed on Si(0 0 1)

W. Orellana, R. H. Miwa, A. Fazzio

Research output: Contribution to journalConference article

18 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)728-732
Number of pages5
JournalSurface Science
Volume566-568
Issue number1-3 PART 2
DOIs
Publication statusPublished - 20 Sep 2004
EventProceedings of the 22nd European Conference on Surface Science - Prague, Czech Republic
Duration: 7 Sep 200312 Sep 2003

Fingerprint

Carbon Nanotubes
Electronic properties
Carbon nanotubes
carbon nanotubes
electronics
Dimers
Nanotubes
Geometry
nanotubes
geometry
dimers
Adsorption
adsorption
Chemical bonds
Silicon
Single-walled carbon nanotubes (SWCN)
chemical bonds
configurations
Fermi level
Binding energy

Keywords

  • Carbon
  • Chemisorption
  • Density functional calculations
  • Silicon
  • Surface electronic phenomena (work function, surface potential, surface states, etc.)

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Condensed Matter Physics
  • Surfaces and Interfaces

Cite this

Orellana, W. ; Miwa, R. H. ; Fazzio, A. / Stability and electronic properties of carbon nanotubes adsorbed on Si(0 0 1). In: Surface Science. 2004 ; Vol. 566-568, No. 1-3 PART 2. pp. 728-732.
@article{4b3533aa7eae4dae92b7c166a8e26634,
title = "Stability and electronic properties of carbon nanotubes adsorbed on Si(0 0 1)",
abstract = "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/{\AA}. 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.",
keywords = "Carbon, Chemisorption, Density functional calculations, Silicon, Surface electronic phenomena (work function, surface potential, surface states, etc.)",
author = "W. Orellana and Miwa, {R. H.} and A. Fazzio",
year = "2004",
month = "9",
day = "20",
doi = "10.1016/j.susc.2004.06.006",
language = "English",
volume = "566-568",
pages = "728--732",
journal = "Surface Science",
issn = "0039-6028",
publisher = "Elsevier",
number = "1-3 PART 2",

}

Stability and electronic properties of carbon nanotubes adsorbed on Si(0 0 1). / Orellana, W.; Miwa, R. H.; Fazzio, A.

In: Surface Science, Vol. 566-568, No. 1-3 PART 2, 20.09.2004, p. 728-732.

Research output: Contribution to journalConference 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 -