Table 6 The calculated Voc, Δ LUMO, normalized Voc, and fill factor with (%) values of all studied systems.
From: DFT study of benzothiadiazole based small molecules for high efficiency organic photovoltaics
Molecules | Voc | Δ L (LD–LA) | Normalized voc | Fill factor | %FF |
|---|---|---|---|---|---|
REF | 2.36 | − 0.77 | 91.32 | 0.9402 | 94.02 |
G1 | 1.31 | 0.28 | 50.75 | 0.9045 | 90.45 |
G2 | 1.13 | 0.46 | 43.69 | 0.8927 | 89.27 |
G3 | 1.19 | 0.40 | 45.90 | 0.8968 | 89.68 |
G4 | 1.34 | 0.25 | 51.72 | 0.9059 | 90.59 |
G5 | 1.66 | − 0.07 | 64.09 | 0.9205 | 92.05 |
G6 | 1.37 | 0.22 | 53.05 | 0.9078 | 90.78 |
G7 | 1.16 | 0.43 | 44.95 | 0.8951 | 89.51 |
G8 | 1.50 | 0.09 | 58.08 | 0.9141 | 91.41 |
