1e:T451,The photovoltaic and photocatalytic systems generally use at least one semiconductor in their architecture which role is to absorb the light or to transport the charge carriers. Despite the large variety of working principles encountered in these systems, they share some fundamental steps such as light absorption, exciton dissociation, and charge carrier diffusion. These phenomena are governed by fundamental properties of the semiconductor like the bandgap, the dielectric constant, the charge carrier effective masses, and the exciton binding energy. The ability of density functional theory to compute all of these properties is evaluated. From the particularly good results obtained with the HSE06 functional, it can be concluded that DFT is a reliable tool for the evaluation and prediction of these key properties which open nice perpectives for in silico design of improved semiconductors for solar energy application. In the light of these calculations, some experimental observations on the difference of efficiencies between semiconductors like TiO2 anatase and rutile or ZnO are interpreted.1f:T4fa,Particle size of nanomaterials has significant impact on their photocatalyst properties. In this paper, TiO₂ nanoparticles with different crystalline sizes were prepared by adjusting the alkali-hydrothermal time (0-48 h). An annealing in N₂ atmosphere after hydrothermal treatment caused TiO₂ reduction and created defects, resulting in the visible light photocatalytic activity. The evolution of physicochemical properties along with the increase of hydrothermal time at a low alkali concentration has been revealed. Compared with other TiO₂ samples, TiO₂-24 showed higher photocatalytic activity toward degrading Rhodamine B and Sulfadiazine under visible light. The radical trapping and ESR experiments revealed that O₂^•- is the main reactive specie in TiO₂-24. Large specific surface areas and rapid transfer of photogenerated electrons are responsible for enhancing photocatalytic activity. The above findings clearly demonstrate that particle size and surface oxygen defects can be regulated by alkali-hydrothermal method. This research will deepen the understanding of particle size on the nanomaterials performance and provide new ideas for designing efficient photocatalysts.20:T45b,Photocatalytic degradation of aqueous solution of methylene blue dye under UV light illumination was studied by using manganese doped ZnO (Zn1-xMnxO, where x=0.00,x=0.02andx=0.05) nanoparticles as a photocatalyst. The nanophotocatalysts were synthesized by wet chemical co-precipitation method. The structural, morphological, and optical properties of the photocatalysts were done by X-ray diffraction (XRD), Scanning Electron microscope (SEM), Energy Dispersive X-Ray (EDX), photoluminescence (PL), Fourier Transform Infrared Ray (FTIR) and UV–visible spectroscopic techniques. An improved photocatalytic efficiency of ZnO was observed upon doping with Mn and 2% Mn-doped ZnO exhibited the highest photocatalytic activity among the doped samples. The effect of operating parameters such as amount of catalyst, the initial dye concentration, and initial pH on the rate of dye degradation using 2% Mn-doped ZnO was studied. Under the optimum operation conditions, approximately 99% of dye removal was achieved after 120 min of irradiation. Keywords: Manganese doped ZnO, Methylene blue dye, Photocatalytic activity

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