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

الموضوعات :

Si Mohamed Bouzzine ¹ ()
Mohamed Hamidi ² ()
Mohamed Bouachrine ³ ()

تاريخ الإرسال : 04 الإثنين , صفر, 1437 تاريخ التأكيد : 04 الإثنين , صفر, 1437 تاريخ الإصدار : 29 الأربعاء , صفر, 1435

الکلمات المفتاحية:

ملخص المقالة :

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.