MAPbI3 and FAPbI3 perovskites as solar cells: Case study on structural, electrical and optical properties

Recently, hybrid organic-inorganic perovskite (HOIP) solar cells with AMX(3)-perovskite-based photovoltaics have opened up a new paradigm in solar cell fabrication. Among numerous studies on these novel materials, there are limited researches that compare theoretical and experimental results simultaneously. Here, we have investigated the most feasible structures - MAPbI(3) and FAPbI(3) - utilized as efficient active layers in HOIP solar cells. To this end, the proposed structures were evaluated experimentally and theoretically through dark I-V characterization and quantum-transport approach, respectively; which have been rarely discussed in previous reports. While trap density and ideality factor are determined through dark I-V characterization, geometrical and electrical properties are studied via first-principle density-functional theory. Moreover, quantum transport and I-V characteristics have been calculated through non-equilibrium Green's function and its results are in good agreement with the experimental results. Based on our experimental and theoretical studies of FAPbI(3) and MAPbI(3), FAPbI(3) is an appropriate candidate to be used as an active layer in solar cell optoelectronic device fabrications.