Computational Prediction of Electronic and Photovoltaic Properties of Anthracene-Based Organic Dyes for Dye-Sensitized Solar Cells

Table 4

Ionization potentials (IP) and electron affinities (EA) of three original molecules in gas and solvent (in eV).

		MS3	TY3	TY6
Gas	IP	5.89	5.65	5.49
	EA	1.34	1.22	1.40
Solvent	IP	4.94	4.74	4.70
	EA	2.54	2.43	2.62