Orbital - Vol. 10 No. 7 - October-December 2018
FULL PAPERS

Study Optoelectronic and Geometric Properties of New compounds Based on Carbazole-thiophene Bridged for Solar Cells

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  • Jabha Mohamed,
  • El Alaoui Abdelah
Jabha Mohamed
Equipe de de recherche ressource naturelles et environnement (RN&E), Département de Chimie, Faculté des Sciences et Techniques, Université Moulay Ismaïl
El Alaoui Abdelah
Département de Chimie, Faculté des Sciences et Techniques, Université Moulay Ismaïl
Published December 25, 2018
Keywords
  • DFT,
  • electronic structures,
  • photovoltaic,
  • gap energy
How to Cite
(1)
Mohamed, J.; Abdelah, E. A. Study Optoelectronic and Geometric Properties of New Compounds Based on Carbazole-Thiophene Bridged for Solar Cells. Orbital: Electron. J. Chem. 2018, 10, 552-560.

Copyright (c) 2018 Orbital: The Electronic Journal of Chemistry

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Abstract

Theoretical studies have been carried out to predict the structure, electronic, optical and photovoltaic properties of systems based on carbazole - thiophene bridged and X groups (X1: Benzo-[c]-thiophene, X2: Quinolinn-8-ylamine, X3: Benzyl-amine) with or without the strongly attracting chromophore -CHCO2HCN. The optoelectronic and photovoltaic properties improve when some donor and acceptor blocs alternate on the oligomer skeleton since slight band gap are noticed especially for X2 and X3 molecules with chromophore (average value 2.59eV). Indeed, some higher values of λmax (wave-length absorbed) are obtained and the HOMO and LUMO orbitals are correctly located than their homologs semi-conductors like the bis adduct of phenyl-C61-butyric acid methyl ester (Bis-PC61BM).

DOI: http://dx.doi.org/10.17807/orbital.v10i7.1322

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