Raman active modes in defective peapods

Abstract

The vibrational properties of defective single-walled carbon nanotube filled with C60 fullerene is the subject of the current study. For this aim we use the spectral moments method in the framework of the bond-polarization theory to calculate the non-resonant Raman spectra of hexa-vacancy defective C60 peapods. Essentially, the vibrational properties are closely coupled with the atomic structure of the system. The evolution of the Raman spectrum as a function of the spatial arrangement of defects in carbon nanotubes is discussed. This work provides benchmark theoretical results to understand the experimental data of defective C60 peapods. #single_wall_carbon_nanotube #C60_peapods #hexa-vacancy_defect #Raman_spectroscopy #pectral_moment_method