NMR Chemical Shift of Single-Wall Carbon Nanotubes
- 2 April 2001
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 86 (14) , 3160-3163
- https://doi.org/10.1103/physrevlett.86.3160
Abstract
We compute the magnetic shielding tensor within the London approximation and estimate the Knight shift of single-wall carbon nanotubes. Our results indicate that high resolution NMR should be able to separate the metallic and insulator character of the nanotubes since a 11 ppm splitting is predicted from the respective resonances. As a model for disorder, bending, and defects in these structures, we investigate the magnetic response of nanotubes with finite size. We get a small line broadening coming from an intrinsic length dependent resonance effect. The nanotube packing is also studied and leads to a 20 ppm broadening which disappears under experimental high-resolution conditions.
Keywords
This publication has 21 references indexed in Scilit:
- Electronic Structures of Single-Walled Carbon Nanotubes Determined by NMRScience, 2000
- Electronic States in a Finite Carbon Nanotube: A One-Dimensional Quantum BoxPhysical Review Letters, 1999
- Imaging Electron Wave Functions of Quantized Energy Levels in Carbon NanotubesScience, 1999
- Ab initioNMR Chemical Shift of Diamond, Chemical-Vapor-Deposited Diamond, and Amorphous CarbonPhysical Review Letters, 1997
- Novel Magnetic Properties of Carbon NanotubesPhysical Review Letters, 1995
- Molecular orientational dynamics in solid C70: Investigation by one- and two-dimensional magic angle spinning nuclear magnetic resonanceThe Journal of Chemical Physics, 1993
- Ring currents in topologically complex molecules: Application to,, and their hexa-anionsPhysical Review A, 1993
- Are fullerene tubules metallic?Physical Review Letters, 1992
- Molecular-Orbital Theory of Diamagnetism. I. An Approximate LCAO SchemeThe Journal of Chemical Physics, 1962
- Theory of Diamagnetism of GraphitePhysical Review B, 1960