Theoretical studies of photovoltaic properties for design of new Azo-Pyrrole photo-sensitizer materials as dyes in solar cells

Since the pyrrole derivatives are actively studied in connection with several application areas in optic and electronic,we aim to investigate new azo-pyrrole as useful photovoltaic sensitizer materials. thus,dft study was reported upon three compounds (aps,apc1,apc2). we present materials with low gap (eg <2ev),exhibiting open circuit voltage (voc) in the range 0.75-0.85 ev,with favorable absorption properties: light harvesting efficiency (lhe > 0.75) and maximal absorption λmax from 410 nm to 480 nm. in fact,this method constitutes a good approximation to characterize the dye molecules and gives helpful findings for the design of new dyes. © 2017,university of mohammed premier oujda morocco.