Optimization of the Growth Conditions for High Quality CH 3 NH 3 PbBr 3 Hybrid Perovskite Single Crystals

Organic-Inorganic Halide Perovskite, hybrid perovskite, CH3NH3PbBr3, MAPbBr3, Crystal Growth, Crystalline quality, structural defects ABSTRACT Methylammonium lead tribromide (CH3NH3PbBr3) single crystals has gained a growing attention in the past few years due to their use as model material to investigate relevant intrinsic perovskite properties, and for their potential applications for radiation detection. Their study has been facilitated by the ease and speed of fabrication of millimetric single crystals through a simple protocol of unseeded Inverse Temperature Crystallization (ITC). In this study, we show that such growing conditions suffer from both insufficient reproducibility regarding crystal quality and low yield of single crystal obtention. In particular, we observed that more than the half of crystals obtained by this technique are polycrystals. The structural defects of the rest single crystals obtained have been characterized by cross polarized light, surface chemical etching to reveal dislocations, X-ray diffraction, ICP-MS, and H-NMR. The results reveal a strong variability of crystals regarding to internal strains and dislocation densities. Such defects can further severely impact the electronic transport properties of these materials. A more robust and reproducible protocol is proposed based on seeded growth combined with appropriate temperature profile selected from continuous crystal growth monitoring. A clear improvement in crystal quality is reached with higher transparency, minimized internal strains and a low dislocations density in the range of 104 to 105 cm-2.