Structural and Optical Properties of α-Quartz Cluster with Oxygen-Deficiency Centers

Figure 6

Total density of states (TDOS) of two clusters with ODC(II) defect. (a) SiO₂H₂; (b) Si₃O₈H₆. The red vertical dashed lines align to highlight highest occupied molecular orbital (HOMO) level.

(a)

(b)