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Coupling of Raman radial breathing modes in double-wall carbon nanotubes and bundles of nanotubes

Han, Si-ping and Goddard, William A., III (2009) Coupling of Raman radial breathing modes in double-wall carbon nanotubes and bundles of nanotubes. Journal of Physical Chemistry B, 113 (20). pp. 7199-7204. ISSN 1520-6106.

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Measurements of the radial breathing modes from Raman Spectroscopy have been most useful in characterizing the diameters of single-wall carbon nanotubes (SWNT), where there is a simple monotonic relationship between frequency and diameter. Similar correlations have also been used to predict sizes for double and multiple wall nanotubes and for bundles of SWNT. However this can lead to significant errors because the relationship between frequencies and diameter is much more complicated for DWNT. This is because of couplings between the vibrations of various walls. To provide guidance in such assignments we used the GraFF atomistic force field to predict the in-phase and counter-phase radial breathing modes (RBMs) of double wall carbon nanotubes (DWNTs) over a broad range of inner and outer diameters and chiralities. We then developed an analytical model to describe the RBMs of dispersed DWNTs. This enables the inner and outer shell diameters to be extracted from pairs of RBM peaks. We find that nanotubes bundles show significant dependent peak broadening and shifting compared to dispersed nanotubes. For bundles of SWNT and DWNT, the relationships are much more complicated.

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Goddard, William A., III0000-0003-0097-5716
Additional Information:© 2009 American Chemical Society. Received: July 2, 2008; Revised Manuscript Received: February 19, 2009. Publication Date (Web): April 23, 2009. We thank Intel Components Research for support in initiating this project and support from the Focus Center Research Program (FCRP) - Center on Functional Engineered Nano Architectonics (FENA) and from NSF (ECS- 0609128 and CTS-0608889) in completing it. Supporting Information Available: Mathematica 7.0 notebook source code for the calculation of RBMs from diameters and of diameters from RBMs is provided under the GPL license; supplemental tables are also provided. This material is available free of charge via the Internet at
Funding AgencyGrant Number
Functional Engineered Nano Architectonics (FENA)UNSPECIFIED
Issue or Number:20
Record Number:CaltechAUTHORS:20090818-102506364
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:15152
Deposited By: Tony Diaz
Deposited On:20 Aug 2009 20:08
Last Modified:26 Nov 2019 11:15

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