Label | E (au) | Rel. E (eV) | Dipole debye | E HOMO (eV) | E LUMO (eV) | Band gap | Size [nm] | UVVIS lambda max |
Si9O15A | −3734.76369 | −0.0000 | 6.60 | −7.20 | −3.91 | 3.2873 | 0.56863 | 356.6 |
Si9O15G | −3734.65592 | 2.9326 | 0.51 | −8.87 | −3.83 | 5.0378 | 0.56745 | 267.1 |
Si9O15C | −3734.64602 | 3.2019 | 5.51 | −7.24 | −4.94 | 2.3031 | 0.57407 | 370.7 |
Si9O15B | −3734.62837 | 3.6822 | 0.63 | −8.93 | −3.84 | 5.0859 | 0.56723 | 254.9 |
Si9O15D | −3734.62532 | 3.7652 | 1.21 | −8.53 | −4.26 | 4.2651 | 0.56604 | 311.0 |
Si9O15H | −3734.62028 | 3.9024 | 0.76 | −8.35 | −4.56 | 3.7879 | 0.56597 | 349.3 |
Si9O15E | −3734.62005 | 3.9085 | 0.62 | −8.34 | −4.56 | 3.7726 | 0.56593 | 295.4 |
Si9O15F | −3734.61861 | 3.9478 | 0.46 | −8.87 | −3.81 | 5.0581 | 0.56717 | 302.2 |