Study On Photoelectric Properties Of Flavonoids And Indole Derivatives Dyes

Environmental pollution and energy crisis are the tremendous challenge of people around the world.Dye sensitized solar cells(DSSC)belongs to third generation solar cells,which can transfer clean solar energy to effective power electricity,further becomes the replacement of traditional fossil fuels,then solve the energy crisis and environmental pollution problems,the sustainable development of the global economy.Natural dyes(quinrence and rutin)ususlly applied as dye pigments and food fillings,which belongs to natural flavonoid pigments.The photoelectric performances of rutin and quinrence had been tested in the experiment,including infrared spectroscopy,ultra light absorption,fluorescent spectrum and cyclic voltammetry.Results showed that,quinrence(?=2.151%,VOC=0.582 V,JSC=5.480 mA/cm2,ff=0.674)obviously higher than rutin(77=0.713%,VOC=0.547 V,JSC=1.826 mA/cm2,ff=0.714).quinrence has better photoelectric performances,and its power conversion efficiency exceeds 2%.In order to better understand their photoelectric difference.Time dependent density functional theory(TDDFT)and(DFT)has been applied to explore investigation.Theoretical simulated their ultravoit absorption,infrared spectroscopy and fluorescent spectrum by gaussian.Photoelectric parameters including light capturing efficiency,charge transferred distances,stokes shift,ioni potential,electrons affinity have been calculated for investigation.The trend of theoretical simulated photovoltage and short current density are kept in accordance with the experiment.The final investigation showed that natural dye quinrence is potential dye to applied in the field of solar cells,such investigation broadened the applied region of materials in different fields.Besides,we investigate the molecular system by introducing indole derivatives(W).The process includes dye regeneration,electrons recombination,and intramolecular charge transfer performance are analyzed.Results showed that,introducing indole derivatives and benbizole auxiliary acceptor(B)especially introducing the two moieties at the same time can obviously improve molecular photoelectric performance due to indole derivatives'better electrons donating ability and benbizole electrons attracting ability.The designed WQAB with indole derivative(W)donor functional group,quinyallone(QA)as the bridge,and benzothiadiazole as the acceptor showed the best photoelectric performance(JSC=28.52 mA/cm2).Current investigation engineering strategy provide supports for selecting potential dyes to be applied in the fields of solar cells.