Sharif Digital Repository

Semiconductor photoelectrodes for water oxidation that absorb visible light usually have poor electronic transport properties and small optical absorption coefficients near their absorption edge. Therefore, innovative designs that lead to significant optical absorption in relatively thin layers of these compounds are highly desirable. Here, using full-field electromagnetic optical simulations, we demonstrate that a monolayer of resonant-size BiVO4 spheres can provide enhancement up to a factor of two in solar light absorption relative to dense planar layers. In this monolayer, BiVO4 spheres do not need to be interconnected; therefore, such monolayers are flexible and their fabrication... 

Embedded dielectric scatterers comprise an important approach for light trapping in dye-sensitized solar cells (DSCs) due to their simple fabrication process. The challenge in applying these scatterers lies in finding the optimal dimensions and concentration of the scatterers. This requires many experiments and it is often quite difficult to have a starting point for optimizing the concentration. Based on theories of light propagation in random media, we propose a simple model for DSCs with embedded silica spherical particles. Then, by full-wave optical calculations, we determine a narrow range for the concentration of silica particles that leads to the largest optical absorption in the... 

We used first principles calculations based on density functional theory with generalized gradient approximation to investigate and compare the structural, electronic and optical properties of two photoanode materials, ZnV2O6 and Zn2V2O7, for use in photocatalytic water splitting. After geometry optimization, the calculated structural parameters evince a satisfactory agreement with the reported experimental results indicating that the used method and conditions are suitable. The electronic structures demonstrate that both photocatalysts possess favorable band gaps (2.31 and 2.52 eV) and appropriate band edge positions for oxygen evolution reaction under solar radiation. The relatively light...