Electronic and Optical Properties of Small Hydrogenated Silicon Quantum Dots Using Time-Dependent Density Functional Theory

Table 2

Comparison of results for optical properties [9–11].

Quantum dots		Optical properties
Diameter (nm)	Empirical formula	Optical threshold (eV)	First noticeable peak (eV)	Second noticeable peak (eV)
—	SiH4	8.1, 8.0 [9], 8.0 [11]	8.54, 8.7 [9], 8.2 [11]	9.45, 9.6 [9], 9.1 [11]
0.6	Si5H12	5.5, 5.7 [10], 5.6 [11]	6.7, 6.5 [10], 6.4 [11]	8.12
0.8	Si17H36	4.0	5.47	6.72
1.0	Si29H36	3.5	4.2	4.8
1.1	Si35H36	3.43	3.7	4.4
1.2	Si47H60	3.4	4.1	5.05
1.4	Si66H74	3.3	3.72	4.93
1.5	Si71H84	3.2	3.81	5.98
1.6	Si87H76	3.0	4.78	6.72