Author/Authors :
Bouzzine, Si Mohamed Centre Régional des Métiers d’Education et de Formation, Errachidia, Maroc , Hamidi, Mohamed URMM/UCTA - Faculté des Sciences et Techniques - Université Moulay Ismail, Errachidia, Maroc , Bouachrine, Mohamed ESTM - Université Moulay Ismail, Mehnes
Abstract :
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.
Keywords :
Conjugated oligomerss , doping , Oligothiophene , DFT , Polaron , Bipolaron
