Using design of experiment to obtain a systematic understanding of the effect of synthesis parameters on the properties of perovskite nanocrystals

Abstract

Lead halide perovskite nanocrystals have emerged as promising materials for optoelectronic applications. Their properties can be tuned by changing the synthesis conditions, but usually these conditions are studied in isolation rather than holistically. We report the use of design of experiment in the synthesis of MAPbI₃ nanocrystals. Eight factors were investigated in a broad screening study; we then focussed on five factors in a more refined screening study that targeted desired optoelectronic properties. An empirical model was developed and validated proving that five factors could be understood within a low number of experiments. By controlling the reactant solvent ratio, ligand concentration, ligand ratio, non-polar solvent polarizability, and purification solvent, the MAPbI₃ photoluminescence peak position could be tuned from 614 to 737 nm. The model has provided greater insight into the nanocrystal morphology and stability.