Boutahir, M. and Abdelkader, S.A.A. and Rahmani, A. and Fakrach, B. and Chadli, H. and Rahmani, A. (2017) Vibrational study of hybrid systems based on graphene for solar cells. In: UNSPECIFIED.

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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 of oligothiophene with graphene. Parallel configuration of thiophene molecules with respect to the graphene plane was considered. Infrared spectroscopy showed evidence of a significant charge transfer on the inserted oligothiophene. Both the G-band intensity and the low-frequency modes vanishing suggest a significant charge transfer between the bithiophene and the graphene. © 2016 IEEE.

Item Type: Conference or Workshop Item (UNSPECIFIED)
Uncontrolled Keywords: Charge transfer; Energy conservation; Hybrid systems; Infrared spectroscopy; Oligomers; Solar cells; Van der Waals forces, Bond polarizability; Hybrid nanostructures; Infrared spectrum; Intermolecular potentials; Low-frequency modes; Oligothiophene derivative; Optimum configurations; Parallel configuration, Graphene
Subjects: Energy
Depositing User: Administrateur Eprints Administrateur Eprints
Last Modified: 31 Jan 2020 15:47

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