Electronic-, Optical-, and Temperature-Dependent Carrier Mobility Simulations of Perovskite-Type Liganded PbS Quantum Dot Array

Figure 4

The density of states (DOS), optical absorption, and orbital-projected DOS for FA-liganded QD and Cl-liganded QD. (a) The optical absorption of FA-liganded QD. (b) The DOS of FA-liganded QD. (c) The orbital-projected DOS for FA-liganded QD. The hybridization effect of FA p-orbital DOS (black solid line) in the conduction band is highlighted with a green-dashed square. (d) The optical absorption of Cl-liganded QD. The contribution of the intermediate band is highlighted with a red-dashed circle. (e) The DOS of Cl-liganded QD. The contribution of the intermediate band is highlighted with a red-dashed circle. (f) The orbital-projected DOS for Cl-liganded QD. The FA p-orbital DOS (black solid line) does not show the hybridization effect in the conduction band.

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