Electroactive Materials Based on Thiophen: Study of the Doping and its Effect

Journal of Applied Chemical Research

مقاله 2، دوره 8، شماره 1، فروردین 2014، صفحه 15-23   

نوع مقاله: Research Paper

نویسندگان

Si Mohamed Bouzzine؛ Mohamed Hamidi؛ Mohamed Bouachrine^*

چکیده

We have theoretically investigated the effect of doping in oligothiophenes (Tn, n=2-8) with the DFT method at UB3LYP level with 6-31G(d) basis set. Our attention focused on the study of the geometrical and electronic properties in the neutral and doped states. We show that the doping process modify both bond lengths and torsion angles and also electronic properties by enhancing the planarity and decreasing the band Gap.

کلیدواژه‌ها

Conjugated oligomerss؛ doping؛ Oligothiophene؛ DFT؛ Polaron؛ Bipolaron