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

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

doi:10.1016/j.apsusc.2004.09.165

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

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

Facultad Ciencias Exactas

Resultado de la investigación: Contribución a una revista › Artículo de la conferencia › revisión exhaustiva

7 Citas (SciVal)

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 original	Inglés
Páginas (desde-hasta)	124-128
Número de páginas	5
Publicación	Applied Surface Science
Volumen	244
N.º	1-4
DOI	https://doi.org/10.1016/j.apsusc.2004.09.165
Estado	Publicada - 15 may. 2005
Evento	12th International Conference on Solid Films and Surfaces - Hammatsu, Japón Duración: 21 jun. 2004 → 25 jun. 2004

Áreas temáticas de ASJC Scopus

Química (todo)
Física de la materia condensada
Física y astronomía (todo)
Superficies e interfaces
Superficies, recubrimientos y láminas

Acceder al documento

10.1016/j.apsusc.2004.09.165

Otros archivos y enlaces

Enlace a la publicación en Scopus

Citar esto

@article{40c1cbbcd63344ec8650b4818d7a1de3,

title = "Carbon nanotube adsorbed on hydrogenated Si(0 0 1) surfaces",

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.",

keywords = "Ab-initio calculations, Carbon nanotube, Silicon surface",

author = "Miwa, {R. H.} and W. Orellana and A. Fazzio",

note = "Funding Information: This work was supported by FAPESP, FAPEMIG and CNPq. We also would like to thank CENAPAD-SP for computer time.; 12th International Conference on Solid Films and Surfaces ; Conference date: 21-06-2004 Through 25-06-2004",

year = "2005",

month = may,

day = "15",

doi = "10.1016/j.apsusc.2004.09.165",

language = "English",

volume = "244",

pages = "124--128",

journal = "Applied Surface Science",

issn = "0169-4332",

publisher = "Elsevier",

number = "1-4",

}

TY - JOUR

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

AU - Miwa, R. H.

AU - Orellana, W.

AU - Fazzio, A.

N1 - Funding Information: This work was supported by FAPESP, FAPEMIG and CNPq. We also would like to thank CENAPAD-SP for computer time.

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

AN - SCOPUS:15844367711

SN - 0169-4332

VL - 244

SP - 124

EP - 128

JO - Applied Surface Science

JF - Applied Surface Science

IS - 1-4

T2 - 12th International Conference on Solid Films and Surfaces

Y2 - 21 June 2004 through 25 June 2004

ER -

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

Resumen

Áreas temáticas de ASJC Scopus

Acceder al documento

Otros archivos y enlaces

Huella

Citar esto