Experimental and simulation study for impact of different halides on the performance of planar perovskite solar cells

MeA-PbX3 and MeA-PbI2X (where MeA = CH3NH3; X=I, Br, Cl) systems have been synthesized using grinding processing. Plainly, the crystal structures of the perovskite materials were altered with the variation of the halide ions. Meanwhile, the band gap energy was enhanced from 1.5 eV for MeA-PbI3 to 2.1 and 2.8 eV for MeA-PbBr3 and MeA-PbCl3 as a result of substitution by halide Br and Cl, respectively. The intensity peaks of different perovskite structures were confirmed by photoluminescence (PL). Furthermore, the following energy parameters, heat of formation, high occupied molecular orbital (HOMO) and low unoccupied molecular orbital (LUMO) were evaluated using hyperchem system software. Herein, we performed a device modeling and theoretical study on planar perovskite solar cells without a hole transporting material (HTM) using a solar cell simulation program (wxAMPS) as an update of the popular solar cell simulation tool (AMPS; Analysis of Microelectronic and Photonic Structures). Simulation and experimental design of MeA-PbX3 and MeA-PbI2X (where MeA = CH3NH3; X = I, Br, Cl) systems were investigated. The cells without HTM have been suggested to enhance the low cost and simple assembly of organic-inorganic lead halide perovskite based solar cells. MeAPbBr(3) with HTM-free solar cells was achieved a high PCE of 13.96% in simulation program compared to 3.88% as experimental one.