Please use this identifier to cite or link to this item: https://doi.org/10.1021/jp0558167
Title: Wall "thickness" effects on Raman spectrum shift, thermal conductivity, and Young's modulus of single-walled nanotubes
Authors: Zhang, G. 
Li, B. 
Issue Date: 22-Dec-2005
Citation: Zhang, G., Li, B. (2005-12-22). Wall "thickness" effects on Raman spectrum shift, thermal conductivity, and Young's modulus of single-walled nanotubes. Journal of Physical Chemistry B 109 (50) : 23823-23826. ScholarBank@NUS Repository. https://doi.org/10.1021/jp0558167
Abstract: We demonstrate that at a finite temperature, an effective wall thickness of a single-walled carbon nanotube (SWNT) should be W = W s + W d where W s is the static thickness defined as the extension of the outmost electronic orbit and W d the dynamic thickness due to thermal vibration of atoms. Both molecular simulations and a theoretical analysis show that W d is proportional to T 1/2. We find that the increase of dynamic thickness with temperature is the main mechanism of Raman spectrum shift. The introduction of the dynamic thickness changes some conclusions about Young's modulus and reduces the values of thermal conductivity. © 2005 American Chemical Society.
Source Title: Journal of Physical Chemistry B
URI: http://scholarbank.nus.edu.sg/handle/10635/98571
ISSN: 15206106
DOI: 10.1021/jp0558167
Appears in Collections:Staff Publications

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