Table 12. Calculated Values of the Open Circuit Voltage Voc and Normalized Voc of RW and W1–W7 Molecules.
| molecules | Voc (eV) | normalized Voc |
|---|---|---|
| RW | 1.22 | 47.1498 |
| W1 | 1.22 | 47.1498 |
| W2 | 1.13 | 43.6715 |
| W3 | 1.09 | 41.7391 |
| W4 | 1.30 | 50.2415 |
| W5 | 1.27 | 49.0821 |
| W6 | 1.40 | 54.1063 |
| W7 | 1.45 | 56.0386 |