Combinatorial Synthesis Process—A New Library Excepted Halide Perovskite-Based Materials of Photovoltaic Devices

Halide perovskites (HPs) has been conceived as next generation photovoltaic devices; this is due to their tunable band gap, excellent absorption properties, and excellent carrier mobility. However, some compositions of HPs are discarded until new applications are discovered due to limitations in their photovoltaic properties. Herein, this study reports a new library of HPs including HPs with ambiguous properties by using a combinatorial synthesis process. Firstly, the basic optoelectronic properties of synthesized HPs were measured and classified according to composition by using combinatorial synthesis process. Then, the study of band structure, band gap, hole effective mass, and electron effect mass via first-principles simulations explains the basic optoelectronic properties of synthesized HPs. Additionally, the library was formed that can be used as a variety of photovoltaic devices by controlling the crystalline phase of HPs. This paper suggests the new possibilities of HPs with ambiguous properties for photovoltaic devices.