Carbon nanotube adsorbed on hydrogenated Si(0 0 1) surfaces

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

Resultado de la investigación: Conference article

8 Citas (Scopus)

Resumen

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.

Idioma originalEnglish
Páginas (desde-hasta)124-128
Número de páginas5
PublicaciónApplied Surface Science
Volumen244
N.º1-4
DOI
EstadoPublished - 15 may 2005
Evento12th International Conference on Solid Films and Surfaces - Hammatsu, Japan
Duración: 21 jun 200425 jun 2004

Huella dactilar

Carbon Nanotubes
Carbon nanotubes
carbon nanotubes
Electronic properties
Semiconductor junctions
Adsorption
Atoms
Single-walled carbon nanotubes (SWCN)
semiconductor junctions
adsorption
Structural properties
Energy gap
Metals
electronics
preserving
metallicity
atoms
augmentation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Condensed Matter Physics

Citar esto

Miwa, R. H. ; Orellana, W. ; Fazzio, A. / Carbon nanotube adsorbed on hydrogenated Si(0 0 1) surfaces. En: Applied Surface Science. 2005 ; Vol. 244, N.º 1-4. pp. 124-128.
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Carbon nanotube adsorbed on hydrogenated Si(0 0 1) surfaces. / Miwa, R. H.; Orellana, W.; Fazzio, A.

En: Applied Surface Science, Vol. 244, N.º 1-4, 15.05.2005, p. 124-128.

Resultado de la investigación: Conference article

TY - JOUR

T1 - Carbon nanotube adsorbed on hydrogenated Si(0 0 1) surfaces

AU - Miwa, R. H.

AU - Orellana, W.

AU - Fazzio, A.

PY - 2005/5/15

Y1 - 2005/5/15

N2 - 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.

AB - 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.

KW - Ab-initio calculations

KW - Carbon nanotube

KW - Silicon surface

UR - http://www.scopus.com/inward/record.url?scp=15844367711&partnerID=8YFLogxK

U2 - 10.1016/j.apsusc.2004.09.165

DO - 10.1016/j.apsusc.2004.09.165

M3 - Conference article

VL - 244

SP - 124

EP - 128

JO - Applied Surface Science

JF - Applied Surface Science

SN - 0169-4332

IS - 1-4

ER -