Open AccessRaman active modes in defective peapods
Author(s) -
Fatima Fergani,
S.M. Ait Abdelkader,
H. Chadli,
A. Rahmani,
A. Rahmani
Publication year - 2018
Publication title -
materials and devices
Language(s) - English
Resource type - Journals
ISSN - 2495-3911
DOI - 10.23647/ca.md20180803
Subject(s) - raman spectroscopy , carbon nanotube , vacancy defect , materials science , fullerene , molecular physics , molecular vibration , polarization (electrochemistry) , chemical physics , computational chemistry , nanotechnology , chemistry , crystallography , optics , physics , organic chemistry
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