Fig. 4: Molecular dynamics simulations.
From: Langmuir-Schaefer deposition of 2D PbS quantum dot superlattices with millimetre square coverage
a Snapshot and the corresponding (b) colloidal and (c) atomic FFT for the simulated PbS QD SL for the initial spacing lattice l0 = 65 Å, P = 30 atm and (d–f) l0 = 85 Å, P = 1 atm, respectively (scale bars: 0.5 nm−1; 3 nm−1). Lead atoms are represented in grey while sulphur and selenium atoms are represented in yellow. The colour scale is the same for (b, e) and (c, f) respectively. g Radial distribution functions g(r) as a function of l0 at P = 1 atm. Vertical dashed lines indicate the minimum cutoff distance used to compute the different structural descriptors. h Number of neighbours (Nneigh), orientational bond order parameter (Ψ6) and percentage of void space (Vvoid) once the system reached the equilibrium state as a function of l0 at P = 1 atm. Error bars represent one standard deviation.
