T he computational study on t he effect of azobenzen linker on the dye

The w orld energy demand steadily increases due to rising popu lation in co ming years, it is expected this demand will reach to several values. First, Gratzel e t al. were p roduced sola r cell via successful co mbination of nano-structured porous electrodes of TiO۲ and charge injector dyes with energy conversion e fficiency of about ۷% in ۱۹۹۱ and ۱۰% in ۱۹۹۳ [۱]. Organic and inorga nic dyes anchored t o semiconductor nanoparticles, have been found important applications as p hotosensitiz es for solar cells and other optoele ctronic systems. These dyes bind to the semic onductor na noparticles s urface by anchoring gr oup. These types of sola r cell form a donor- acceptor system , which dye s are donor and semico nductors are acceptor. D esign a suit able linker, which cont ain a bridge between d ye and anchoring group , is an important factor to improve efficient of solar cells.All lin kers had surface activity and dye properties. Porphyrin an d linkers ha d high reson ance, so they could absorb wide sp ectra. Due to the high resonance of Zinc por phyrin dyes, they have g ood chemical stability in the solar c ells. Azobenzen dyes with the natu re of surfactant as linker were used for two main reasons: a) it seem that a linker with azobe nzen dyes group increases the abso rption abilit y of sunlig ht. b) Linker s with surfa ce activity could convert the aggre gation of dy e from H-ty pe to J-type and causes the red shift [۲].

کلیدواژه ها:

Solar cell ، DFT ، Linker.