Cyanidin-Based Novel Organic Sensitizer for Efficient Dye-Sensitized Solar Cells: DFT/TDDFT Study

Table 1

Summary of DFT computational calculation of cyanidin, BTBA, and P01-1 constituents in ethanol with geometry optimization.

Sensitizer	With geometry optimization
	HOMO (eV)	LUMO (eV)	Energy gap (eV)
Cyanidin	−6.18	−3.39	2.79
BTBA	−6.33	−2.55	3.78
P01-1	−6.18	−3.66	2.52