| Energies (eV) |
Asphalt before Oxidation |
Asphalt after Oxidation |
| ЄHOMO |
-5.1647 |
-4.9117 |
| ЄHOMO-1 |
-5.2219 |
-5.0178 |
| ЄLUMO |
-3.6001 |
-4.8627 |
| ЄLUMO+1 |
-3.2137 |
-3.5973 |
| Єgap= - (ЄHOMO - ЄLUMO) |
1.5646 |
0.0490 |
| η=1/2 Єgap |
0.7823 |
0.0245 |
| IE= - ЄHOMO |
5.1647 |
4.9117 |
| EA= - ЄLUMO |
3.6001 |
4.8627 |
|
