. 2016 Jan 2;138(3):1010–1016. doi: 10.1021/jacs.5b12124

Table 1. SOC-DFT Calculated Band Gap (E_g) Electron/Hole Effective Masses and Reduced Masses, in Units of m₀, Where m₀ Is the Electron Mass.

n	E_g^a (eV)	m_h/m₀	m_e/m₀	μ/m₀
1	2.84	0.246	0.242	0.122
3	2.67	0.224	0.226	0.112
5	2.59	0.211	0.215	0.107
11	2.51	0.198	0.202	0.100
15	2.47	0.191	0.195	0.096
∞	2.36	0.172	0.171	0.086

The calculated band gap values were rescaled by 2.09 eV to match the measured PL band gap for the bulk.

Table 1. SOC-DFT Calculated Band Gap (Eg) Electron/Hole Effective Masses and Reduced Masses, in Units of m0, Where m0 Is the Electron Mass.