Modelling and simulation of vibrationnal properties of carbon nanotubes and derivatives
نویسندگان
چکیده
The aim of the present paper is to identify the main Raman vibrational features of carbon nanotubes and derivatives. In this goal, Raman active mode calculations have been performed on different single-walled carbon nanotubes (SWCNTs) and double-walled carbon nanotubes (DWCNTs) as well as peapods. The comparison between the calculations performed on these different systems allows us to identify the Raman-active modes of each carbon nanomaterials. In SWCNTs, the tangential modes are located around 1590 cm -1 and the radial breathing mode follows A/D law. This latter law is modified in bundle of SWCNTs, DWCNTs or peapods.
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