9704

8948

كارشناسي ارشد

ماده چگال

اصفهان: دانشگاه صنعتي اصفهان، دانشكده فيزيك

1393

[هشت]،83ص.: مصور،جدول،نمودار

ص.ع.به فارسي و انگليسي

مجتبي اعلائي، اسماعيل عبدالحسيني سارسري

جواد هاشمي فر

94/1/18

فرهاد فضيله، مهدي رنجبر

فيزيك

ID8948

Optical properties of some metal free dye molecules with turbo TDDFT method Zohreh Mohammadi kamal abadi zohreh mohammadi@ph iut ac ir November 2014 Department of Physics Isfahan University of Te nology Isfahan 84156 8311 Iran Degree M Sc Language PersianSupervisor Dr M Alaei m alaei@cc iut ac irDr I Abdolhosseini abdolhosseini@cc iut ac irAbstract e use of solar energy as a source of free unlimited access has led to the manufacture of solarcells Conventional solar cells su as silicon or germanium semiconductor materials are madewith good yields despite high costs us a new generation of solar cells as Dye SensitizedSolar Cell have been studied In this cell light is absorbed by a colorful material and excite itselectrons Dyes have nano structure so for increasing the amount of absorption a slab is used Among solar cells Dye Sensitized Solar Cell are eaper exibile transparent and diversityin shape color makes them important e problem that these solar cells have and should beimproved is lower e cienciy One of the ways for increasing e cienciy is recovering dye as alight sensitive absorbent In this article the optical spectrum of di rent groups of dyes su asOpv3 Nkx 2nnn Cyanine D5 D7 Squarine C343 Alizarin have been studied In these cal culations Homo Lumo gap and response arge density have been determined Results haveshown that with increas the size Homo Lumo gap decrease We have used zinc oxcide as asemi conductor and studied electronical structure For determination the number of layers surface energy calculations have shown of that the surface energy has not anged a er sixlayer Among dyes whi have studied OPV3 trans trans is osen It has lied on the ZnO Calculated gap of this set has go en lower compaire to rst dye e calculation has doneby turbo TDDFT that is an implementation of the Liouville Lanczos approa to linearizedtime dependent density functional theory on antum Espresso Keywords Dye Sensitized Solar Cell DSSC density functional theory DFT Time dependentdensity functional theory TDDFT HOMO LUMO turbo TDDFT

مجتبي اعلائي، اسماعيل عبدالحسيني سارسري

جواد هاشمي فر

فرهاد فضيله، مهدي رنجبر