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The bandgap of inorganic halide perovskites plays a crucial role in the efficiency of solar cells. Although density functional theory can be used to calculate the bandgap of materials, the method is time-consuming and requires deep knowledge of theoretical calculations, theoretical calculations are frequently constrained by complex electronic correlations and lattice dynamics, resulting in discrepancies between calculated and experimental results. To address this issue, this study employs machine learning to predict the bandgap of inorganic halide perovskites. The XGBoost classifier classifies ABX3-type inorganic halide perovskites into narrow and wide bandgap materials. The study collected a dataset consisting of 447 perovskites and generated material descriptors using the Matminer Python package. The model predicts narrow-bandgap materials with 95% accuracy. Finally, the Shapley analysis revealed that the key factor affecting the bandgap of perovskites is the electronegativity range. As the range of electronegativity increases, so does the possibility of a perovskite with a narrow bandgap. These findings highlight the powerful ability of machine learning to quickly and accurately predict the bandgap of perovskites. [ABSTRACT FROM AUTHOR]

CH3NH3PbI3 perovskite films with full coverage and negligible roughness have been obtained by the two-step sequential thermal evaporation (TSSTE) process, which are further applied to fabricate thin-film transistors (TFTs). To gain the optimal electrical characteristics in our TFTs, the effect of the evaporation amount of PbI2 on the crystallization and thickness of CH3NH3PbI3 films is studied during the process of TSSTE. As a result, we demonstrate a thin-film field-effect transistors possessing a hole field-effect mobility of 3.55 cm2 V− 1 s− 1 as well as on/off ratio greater than 105 with the optimal CH3NH3PbI3 films as the channel layer. Through a further comparative analysis, MoO3 buffer layer is inserted between the perovskite channel layer and the source-drain electrode to improve the contact resistance of TFTs. As an understanding of device mechanism, a fact that insertion of MoO3 buffer layer into the Au/perovskite interface significantly reduced the contact resistance from 705 to 0.2 kΩ cm is unveiled. By inserting MoO3 buffer layer, the hole field-effect mobility of the CH3NH3PbI3 organic-inorganic hybrid TFTs can reach to 7.47 cm2 V− 1 s− 1. [ABSTRACT FROM AUTHOR]