Research Article

Density Functional Study of Electronic and Structural Properties of Gold-Cadmium Selenide/Telluride Nanoclusters

Table 3

Electronic calculation of a planer Cd3Se3/Te3 cluster attached to Au atom.

Figure 7 BE (eV) HOMO-LUMO gaps (eV)

Figure 7(a) 2.39 1.36
Figure 7(b) 2.39 2.93
Figure 7(c) 2.14 1.40
Figure 7(d) 2.15 2.63