In the present work, geometries, electronic structures, photovoltaic and optical properties have been carried out on a series of structures formation of phthalocyanine and Titanylphthalocyanine dyes, which are replaced by several subgroup. A density functional theory (DFT) approach together with hybrid function (B3LYP) at SDD basis set was used for the ground state properties in the gas phase. The time-dependent density functional theory (TD-DFT)/ B3LYP was used to investigate the excitation properties of new dyes and analyzed the trends in their optical and redox characteristics. Theoretical principles of HOMO and LUMO energy levels of dyes is requisite in analyzing organic solar cells, thus, HOMO, LUMO levels, open circuit voltage, energy gap, light harvestings efficiency, electron regeneration and electron injection have been calculated and discussed. The outcome of the efficiency, the considered dyes explain absorption energy and wavelength properties that correspond to the solar spectrum requirements. According to results, all the considered materials have a good property and possibility of electron injection procedure from the dyes to conduction band of TiO2, PC60BM or PC60BM. As a result, the molecular changes affect the electronic properties of dye molecules for solar cells. Also, a study of new dyes sensitizers showed that designed materials will be excellent sensitizers. Theoretical designing will prae a way for experimentalists to synthesize the efficient sensitizers for solar cells clearer.

Nanostructured CuO and CuO: Al+3 films were grown at various doping conditions via the chemical spray pyrolysis method (CSP). The crystallite size of the grown films obtained by XRD was (12.13-13.84) nm, the microstrain increased from 23.25 to 26.15. The topography of films was studied via AFM. The average diameter was noticed as (57.38), (69.45), and (75.38) nm for the (CuO, CuO: 2% Al3+ and CuO: 4% Al3+) respectively. A UV-Vis spectral analysis gained optical properties. The bandgap values in the range of (1.72-1.92) eV with the increase of Al3+ content. The absorption coefficient increases by aluminum doping. At the same time, the refractive index and Extinction coefficient increases with aluminum content. This result is beneficial for transparent thin films used for optoelectronic devices applications.

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Abstract:In this work, we studied the absorption and fluorescencespectrum of the (4,4'-((1E,1'E)-[1,1'-biphenyl]-4,4'-diylbis(diazene-2,1-diyl))bis(5-methyl-2,4-dihydro-3H-pyrazol-3-one)(Bpbpy)dye. Five differentconcentrations were prepared at room temperature after dissolving the dye into Ethanol with 99.99% purity. The absorption and fluorescence spectra were measuredby usingUv-Vis Spectrophotometerand Spectrofluorometer with a wavelength range of (200 -900) nm, theyshowed that the peaks of intensity of the absorption and fluorescence were increased with increasingthe concentration. At the same time, there is a shifting in the spectra peaks to high waves length (red shift), the fill factor (FF)was also calculatedfor all solutions. The efficiency of solar cell was calculated before and after using the luminescent solar concentrator (LSC),the highest efficiency ( ( η was(15.86) for the solar cellwith concentration(1×10 -4 ) mol/L.http://dx