Vibrational properties of noncovalently oligothiophene-functionalized graphene nanomaterials

In this paper, the non resonant Raman spectra of hybrid nanostructures obtained by confinement of oligothiophene derivatives in two sheets of graphene are calculated in the framework of spectral moments method, 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 of oligothiophene with graphene. Parallel configuration of thiophene molecules with respect to the graphene plane was considered. (paper)