An inverse design methodology suitable to assist the synthesis and optimization of molecular sensitizers for dye-sensitized solar cells is introduced. The method searches for molecular adsorbates with suitable photoabsorption properties through continuous optimization of "alchemical" structures in the vicinity of a reference molecular framework. The approach is illustrated as applied to the des...

Dye-sensitized solar cells (DSSCs) have been developed as a promising photovoltaic cell type in recent decades because of their low cost, environmental friendliness, ease fabrication, and suitability for wide range indoor outdoor applications, especially under diverse shaded low-light condition. They are typically composed three main components: transparent conducting oxide (TCO) substrate-base...

As an alternative photosensitizer in dye-sensitized solar cells, bovine serum albumin (BSA) (a nonhazardous protein) was used in the synthesis of colloidal CdS nanoparticles (NPs). This system has been employed to replace the commonly used N719 dye molecule. Various nanostructured forms of ZnO, namely, nanorod and nanoparticle-based photoanodes, have been sensitized with colloidal CdS NPs to ev...

Dye-sensitized photoelectrochemical cells (DSPECs) are a promising approach to produce solar fuels, e.g., by reduction of protons molecular hydrogen. Here, we present functional NiO photocathode...