Structural properties of carbon nanotubes derived from 13C NMR

E. Abou-Hamad, M. R. Babaa, M. Bouhrara, Y. Kim, Y. Saih, S. Dennler, F. Mauri, J. M. Basset, C. Goze-Bac, T. Wågberg

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

We present a detailed experimental and theoretical study on how structural properties of carbon nanotubes can be derived from 13C NMR investigations. Magic angle spinning solid state NMR experiments have been performed on single- and multiwalled carbon nanotubes with diameters in the range from 0.7 to 100 nm and with number of walls from 1 to 90. We provide models on how diameter and the number of nanotube walls influence NMR linewidth and line position. Both models are supported by theoretical calculations. Increasing the diameter D, from the smallest investigated nanotube, which in our study corresponds to the inner nanotube of a double-walled tube to the largest studied diameter, corresponding to large multiwalled nanotubes, leads to a 23.5 ppm diamagnetic shift of the isotropic NMR line position δ. We show that the isotropic line follows the relation δ = 18.3/D + 102.5 ppm, where D is the diameter of the tube and NMR line position δ is relative to tetramethylsilane. The relation asymptotically tends to approach the line position expected in graphene. A characteristic broadening of the line shape is observed with the increasing number of walls. This feature can be rationalized by an isotropic shift distribution originating from different diamagnetic shielding of the encapsulated nanotubes together with a heterogeneity of the samples. Based on our results, NMR is shown to be a nondestructive spectroscopic method that can be used as a complementary method to, for example, transmission electron microscopy to obtain structural information for carbon nanotubes, especially bulk samples.

Original languageEnglish
Article number165417
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume84
Issue number16
DOIs
Publication statusPublished - Oct 10 2011
Externally publishedYes

Fingerprint

Carbon Nanotubes
Structural properties
Carbon nanotubes
Nanotubes
carbon nanotubes
Nuclear magnetic resonance
nanotubes
nuclear magnetic resonance
tubes
Magic angle spinning
Graphite
Multiwalled carbon nanotubes (MWCN)
shift
Linewidth
Shielding
Graphene
metal spinning
shielding
line shape
graphene

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

Structural properties of carbon nanotubes derived from 13C NMR. / Abou-Hamad, E.; Babaa, M. R.; Bouhrara, M.; Kim, Y.; Saih, Y.; Dennler, S.; Mauri, F.; Basset, J. M.; Goze-Bac, C.; Wågberg, T.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 84, No. 16, 165417, 10.10.2011.

Research output: Contribution to journalArticle

Abou-Hamad, E, Babaa, MR, Bouhrara, M, Kim, Y, Saih, Y, Dennler, S, Mauri, F, Basset, JM, Goze-Bac, C & Wågberg, T 2011, 'Structural properties of carbon nanotubes derived from 13C NMR', Physical Review B - Condensed Matter and Materials Physics, vol. 84, no. 16, 165417. https://doi.org/10.1103/PhysRevB.84.165417
Abou-Hamad, E. ; Babaa, M. R. ; Bouhrara, M. ; Kim, Y. ; Saih, Y. ; Dennler, S. ; Mauri, F. ; Basset, J. M. ; Goze-Bac, C. ; Wågberg, T. / Structural properties of carbon nanotubes derived from 13C NMR. In: Physical Review B - Condensed Matter and Materials Physics. 2011 ; Vol. 84, No. 16.
@article{c6faea805f4c4cc0b44f69d81c0a3e11,
title = "Structural properties of carbon nanotubes derived from 13C NMR",
abstract = "We present a detailed experimental and theoretical study on how structural properties of carbon nanotubes can be derived from 13C NMR investigations. Magic angle spinning solid state NMR experiments have been performed on single- and multiwalled carbon nanotubes with diameters in the range from 0.7 to 100 nm and with number of walls from 1 to 90. We provide models on how diameter and the number of nanotube walls influence NMR linewidth and line position. Both models are supported by theoretical calculations. Increasing the diameter D, from the smallest investigated nanotube, which in our study corresponds to the inner nanotube of a double-walled tube to the largest studied diameter, corresponding to large multiwalled nanotubes, leads to a 23.5 ppm diamagnetic shift of the isotropic NMR line position δ. We show that the isotropic line follows the relation δ = 18.3/D + 102.5 ppm, where D is the diameter of the tube and NMR line position δ is relative to tetramethylsilane. The relation asymptotically tends to approach the line position expected in graphene. A characteristic broadening of the line shape is observed with the increasing number of walls. This feature can be rationalized by an isotropic shift distribution originating from different diamagnetic shielding of the encapsulated nanotubes together with a heterogeneity of the samples. Based on our results, NMR is shown to be a nondestructive spectroscopic method that can be used as a complementary method to, for example, transmission electron microscopy to obtain structural information for carbon nanotubes, especially bulk samples.",
author = "E. Abou-Hamad and Babaa, {M. R.} and M. Bouhrara and Y. Kim and Y. Saih and S. Dennler and F. Mauri and Basset, {J. M.} and C. Goze-Bac and T. W{\aa}gberg",
year = "2011",
month = "10",
day = "10",
doi = "10.1103/PhysRevB.84.165417",
language = "English",
volume = "84",
journal = "Physical Review B",
issn = "1098-0121",
publisher = "American Physical Society",
number = "16",

}

TY - JOUR

T1 - Structural properties of carbon nanotubes derived from 13C NMR

AU - Abou-Hamad, E.

AU - Babaa, M. R.

AU - Bouhrara, M.

AU - Kim, Y.

AU - Saih, Y.

AU - Dennler, S.

AU - Mauri, F.

AU - Basset, J. M.

AU - Goze-Bac, C.

AU - Wågberg, T.

PY - 2011/10/10

Y1 - 2011/10/10

N2 - We present a detailed experimental and theoretical study on how structural properties of carbon nanotubes can be derived from 13C NMR investigations. Magic angle spinning solid state NMR experiments have been performed on single- and multiwalled carbon nanotubes with diameters in the range from 0.7 to 100 nm and with number of walls from 1 to 90. We provide models on how diameter and the number of nanotube walls influence NMR linewidth and line position. Both models are supported by theoretical calculations. Increasing the diameter D, from the smallest investigated nanotube, which in our study corresponds to the inner nanotube of a double-walled tube to the largest studied diameter, corresponding to large multiwalled nanotubes, leads to a 23.5 ppm diamagnetic shift of the isotropic NMR line position δ. We show that the isotropic line follows the relation δ = 18.3/D + 102.5 ppm, where D is the diameter of the tube and NMR line position δ is relative to tetramethylsilane. The relation asymptotically tends to approach the line position expected in graphene. A characteristic broadening of the line shape is observed with the increasing number of walls. This feature can be rationalized by an isotropic shift distribution originating from different diamagnetic shielding of the encapsulated nanotubes together with a heterogeneity of the samples. Based on our results, NMR is shown to be a nondestructive spectroscopic method that can be used as a complementary method to, for example, transmission electron microscopy to obtain structural information for carbon nanotubes, especially bulk samples.

AB - We present a detailed experimental and theoretical study on how structural properties of carbon nanotubes can be derived from 13C NMR investigations. Magic angle spinning solid state NMR experiments have been performed on single- and multiwalled carbon nanotubes with diameters in the range from 0.7 to 100 nm and with number of walls from 1 to 90. We provide models on how diameter and the number of nanotube walls influence NMR linewidth and line position. Both models are supported by theoretical calculations. Increasing the diameter D, from the smallest investigated nanotube, which in our study corresponds to the inner nanotube of a double-walled tube to the largest studied diameter, corresponding to large multiwalled nanotubes, leads to a 23.5 ppm diamagnetic shift of the isotropic NMR line position δ. We show that the isotropic line follows the relation δ = 18.3/D + 102.5 ppm, where D is the diameter of the tube and NMR line position δ is relative to tetramethylsilane. The relation asymptotically tends to approach the line position expected in graphene. A characteristic broadening of the line shape is observed with the increasing number of walls. This feature can be rationalized by an isotropic shift distribution originating from different diamagnetic shielding of the encapsulated nanotubes together with a heterogeneity of the samples. Based on our results, NMR is shown to be a nondestructive spectroscopic method that can be used as a complementary method to, for example, transmission electron microscopy to obtain structural information for carbon nanotubes, especially bulk samples.

UR - http://www.scopus.com/inward/record.url?scp=80455167940&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=80455167940&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.84.165417

DO - 10.1103/PhysRevB.84.165417

M3 - Article

AN - SCOPUS:80455167940

VL - 84

JO - Physical Review B

JF - Physical Review B

SN - 1098-0121

IS - 16

M1 - 165417

ER -