|
|
|
|
Electroactive Materials Based on Thiophen: Study of the Doping and its Effect
|
|
|
|
|
|
|
|
نویسنده
|
Bouzzine Si Mohamed ,Hamidi Mohamed ,Bouachrine Mohamed
|
|
منبع
|
journal of applied chemical research - 2014 - دوره : 8 - شماره : 1 - صفحه:15 -23
|
|
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.
|
|
کلیدواژه
|
Conjugated oligomerss ,Doping ,Oligothiophene ,DFT ,Polaron ,Bipolaron
|
|
آدرس
|
Centre Régional des Métiers d’Education et de Formation, Maroc. Université Moulay Ismaïl, Faculté des Sciences et Techniques d’Errachidia, URMM/UCTA, Maroc, Université Moulay Ismaïl, Faculté des Sciences et Techniques d’Errachidia, URMM/UCTA, Maroc., Université Moulay Ismail, ESTM, Maroc
|
|
پست الکترونیکی
|
lrmm_fste@yahoo.fr
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Authors
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|