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