title: Natural dye extracted from karkadah and its application in dye-sensitized solar cells: experimental and density functional theory study.
abstract: This work presents an experimental and theoretical study of cyanidin natural dye as a sensitizer for ZnO dye-sensitized solar cells. ZnO nanoparticles were prepared using ammonia and oxalic acid as a capping agent. The calculated average size of the synthesized ZnO with different capping agents was found to be 32.1 nm. Electronic properties of cyanidin and delphinidin dye were studied using density functional theory (DFT) and time-dependent DFT with a B3LYP/6-31G(d,p) level. By comparing the theoretical results with the experimental data, the cyanidin dye can be used as a sensitizer in dye-sensitized solar cells. An efficiency of 0.006% under an AM-1.5 illumination at 100  mW/cm(2) was attained. The influence of dye adsorption time on the solar cell performance is discussed.
authors.forename: S M
authors.initials: SM
authors.lastname: Reda
authors.forename: K A
authors.initials: KA
authors.lastname: Soliman
mesh_terms: D000327:Adsorption; D000872:Anthocyanins / Q000737:chemistry; D004396:Coloring Agents / Q000737:chemistry / Q000302:isolation & purification*; D003198:Computer Simulation; D004560:Electricity; D031584:Hibiscus / Q000737:chemistry*; D008958:Models, Molecular; D008962:Models, Theoretical; D008968:Molecular Conformation; D011789:Quantum Theory; D012993:Solar Energy; D013056:Spectrophotometry, Ultraviolet; D013816:Thermodynamics; D014961:X-Ray Diffraction
chemical_list: D000872:Anthocyanins; D004396:Coloring Agents; C017154:cyanidin; C017185:delphinidin