Theoretical Raman spectroscopy study of finite and infinite fullerene chains inside single-walled carbon nitride nanotubes
Keywords:nanotube, Spectroscopy, Simulation
AbstractWe investigated the hybrid system between Nitrogen doped Single Wall Carbon Nanotubes (N-SWCNT) and fullerene (C60 Â C70) molecules. The structure of the encapsulated fullerenes inside N-SWCNTs is derived from minimum energy calculation using a convenient Lennard-Jones expression of the Van der Waals intermolecular potential. The nonresonant Raman spectra of peapods are studied by using Raman spectroscopy. The dependence of the Raman spectra as a function of the nanotube diameter is discussed. The relative Raman intensity from the C60 to that from the tube as a function of the fullerene concentrations is analyzed. These results are useful for the interpretation of the future experimental Raman spectra of C60 and C70 carbon nitride peapods.
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