Citation: K. Hasnaoui, H. Zgou, M. Hamidi, M. Bouachrine. New materials based on carbazole for optoelectronic device applications: Theoretical investigation[J]. Chinese Chemical Letters, ;2008, 19(4): 488-492. doi: 10.1016/j.cclet.2007.12.026 shu

New materials based on carbazole for optoelectronic device applications: Theoretical investigation

K. Hasnaoui ^a,b, ,
H. Zgou ^a,b ,
M. Hamidi ^b ,
M. Bouachrine ^a

a Unité de Recherche sur les Macromolécules et Modélisation, Faculté des Sciences et Techniques, B. P. 509 Boutalamine, 5200 Errachidia, Morocco;
b Unité de Chimie Théorique Appliquée, Faculté des Sciences et Techniques, B. P. 509 Boutalamine, 5200 Errachidia, Morocco

Received Date: 16 July 2007

A quantum-chemical investigation on the structural and optoelectronic properties of two materials based on carbazole is carried out.The purpose is to display the effect of grafting the fluorine atoms on their optoelectronic and pbysico-chemical properties.In addition to solubility in the polar solvents and the modification in geometric parameters, the substitution of fluorine destabilizes the HOMO and LUMO levels, decreases the band gap energy and raises conjugation length.These properties suggest the substituted fluorine compound as a good candidate for optoelectronic applications.
- Conjugated polymers,
- DFT theoretical investigation,
- Carbazole,
- Optoelectronic applications
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