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

Table 6

The electron injection and regeneration free energy, the light harvesting efficiency () and lifetime ().

							(ns)
Gas	MS3	−1.84	−0.06	4.91	2.16	0.742	5.20
	TY3	−1.97	0.18	4.67	2.03	0.692	6.48
	TY6	−1.99	0.26	4.59	2.01	0.871	3.91
Solvent	MS3	−1.67	−0.16	5.01	2.33	0.801	4.57
	TY3	−1.77	0.04	4.80	2.23	0.759	5.60
	TY6	−1.74	0.08	4.77	2.26	0.895	3.73