Tuning Optical and Charge Transfer Properties of Tetrathiafulvalene-Based D-A ′ -π-A Dyes for DSSCs: A DFT and TDDFT Investigation

This study has explored a series of new tetrathiafulvalene-based dyes designed under the D-A$^{\prime}$-$\pi$-A framework for dye-sensitized solar cells (DSSCs). Twelve dyes have been developed by incorporating benzannulated heterocyclic auxiliary...