| 초록 |
Metal halide perovskites (MHPs) is one of a strong candidate for next-generation photovoltaic materials. The material properties of MHPs can be easily manipulated by changing the chemical composition of perovskites, and numerous MHP varieties have been developed through composition engineering. Compositional mixing of MHPs can enhance the stability, modulate the band gap, and make the Pb-free materials. Theoretical analysis and computational screening procedure can be an effective tool to study the underline physics and to develop more efficient and robust materials. Here I will present our recent theoretical works on a compositional mixing of MHPs. The first topic is the phase stabilization by mixing. Theoretical investigations on the black phase stabilization by the dual-site alloying scheme is presented. The second topic is to develop Pb-free materials by mixing cationic metals. Finally, we will discuss the potential problems in the mixing processes. |
