Dye-sensitized solar cells (DSSC) have received much attention as an alternative to silicon-based solar cells, due to various advantages. Zinc oxide (ZnO) is an n-type semiconductor employed as photoa
In this work, fourteen D–π–A type dyes were designed by modulating donor substitution and π-bridge structures, featuring carbazole as the donor, coumarin as the π-bridge, and cyanoacrylic acid as the
We introduce a new domain-based charge-transfer analysis tool exploiting the locality of pair Coupled Cluster Doubles orbitals. Unique features of the proposed model include the ability to monitor the
