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In this work, we focus on the effect of trivacancy defects on vibrational and electronic properties of single wall carbon nanotube (SWNT). The nonresonant Raman spectra of these nanomaterials were calculated in the framework of the bond-polarizability model combined with the spectral moment's method. The evolution of the Raman spectrum and the electronic density of states as a function of the spatial...
In this paper, the Infrared spectra of hybrid nanostructures obtained by confinement of oligothiophene derivatives in two sheets of graphene are calculated in the framework of spectral momentmethod, together with a bond-polarizability model. Minimum energy calculations are performed, using a convenient Lennard-Jones expression of the van der Waals intermolecular potential, to derive the optimum configurations...
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