Theoretical Study of Phe a, p he b and Phe a-Ph e b Chloro phyllous molecules for Dye sensitized solar cells (DSSCs)

Natur al photosyn thetic syste ms have evo lved over billions of y ears, and t hey can the refore provid e hints regarding some possible strategies fo r improving the perfor mance of organic photo voltaic syste ms such as dye-sensitized solar cells (DSSCs ). Chloroph ylls (Chls) p lay a funda mental role in photosyn thesis. They are the molecular spe cies that are responsible for both light energy capture and its conversion into an electrochem ical gradien t. Dye sensitized solar cells (DSSCs) are currently attracti ng widespread academic and commercial interest for the conversion of sunlight int o electricity because of their low cos t and high D SSCs are si milar to natural photosynthesis in the initial processes i nvolving in light-harvesting and charge separation [۱-۳]. To gain a better underst anding of the role of the sensitizer, particularly of its electr onic structu re and excited-state properties in t he efficienc y of dye-sen sitized solar cell device s, we have carried out Density F unctional T heory (DFT) and Time Dependent DFT (TDDFT) calculations in solution of the geometry, electronic structure and o ptical abso rption spectra of a Phe a, phe b and c ople of Phe a-Phe b Chlorophyllous sensitizers.

کلیدواژه ها:

Chlorophyllous ، Theoretical Study ، DFT ، Dye sensiti zed solar cells.