Research Article

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

Figure 2

The QDs with different ligands in this study. Each solid sphere denotes one atom. (a) The geometry of the liganded QDs is numerically optimized to minimize the self-consistent energy. (b) The QD superlattices for both FA ligand and Cl ligand are constructed with unit cell for simulations of various properties.
(a)
(b)