Abstract

Organometal lead trihalide perovskite materials have attracted the PV researchers tremendously due to some of its promising features such as high absorption coefficient, long carrier diffusion length, low cost synthesis methods and high power conversion efficiency. We have investigated optimal efficiency computationally for methylammonium lead trihalide (MAPbX 3 , X = I, Br, Cl). By using density functional theory (DFT) we have calculated the band structures and density of states (DOS) of these halide perovskites. The detailed balance model is simulated here to obtain theoretical maximum efficiency of perovskite solar cell assuming blackbody as well as the AM 1.5 solar spectra. We have evaluated the power conversion efficiency (PCE) depending on different solar concentration for single junction perovskite solar cells. For the solar spectrum of AM 1.5, the maximum resulting efficiencies of MAPbI 3 , MAPbBr 3 and MAPbCl 3 are 34.95%, 21.25% and 7.39% respectively with full concentration.

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