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
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
Dye-sensitized solar cells (DSCs) are an attractive renewable energy technology currently under intense investigation. In recent years, one area of major interest has been the exploration of alternati
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
