Abstract
This work focuses on the confinement of bi-thiophene (2T) and quater-thiophene (4T) between two monolayer graphene where the confined oligomer molecules and the bilayer graphene are bonded through van der Waals interactions. The nonresonant Raman spectra of these hybrid nanomaterials were calculated using the spectral moment's method in the framework of the bond-polarizability model. The optimum configurations of oligothiophene with graphene layers are derived from minimum energy calculations using a convenient Lennard-Jones expression of the van der Waals intermolecular potential. We find that the 2T-graphene and 4T-graphene separations are close to 0.349 nm. The changes of the Raman spectra as a function of the concentration of the confined oligomers are identified and the relative intensity ratio between a Raman mode of 2T and 4T molecules and the G-band of graphene has been analyzed. This work gives benchmark theoretical data to understand the experimental Raman spectra of graphene/conjugated oligomers hybrids.
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