Band gap engineering of organo metal lead halide perovskite photovoltaic absorber

Organo-metal lead halide perovskite solar cells recently have been suggested to obtain low cost, high power conversion efficiency in competitive with other photovoltaic technique. In this work we model Methylammonium lead iodide perovskite by density functional theory and compute electronic structure and light absorption properties with the local-density approximation calculations. In order to increase the efficiency we present intermediate band-perovskite solar cell and predict optimum power conversion efficiency about 60.54 % using detail balance method by intermediate band position in ideal condition. A narrow intermediate band is created surprisingly by Mercury doped Methylammonium lead iodide in the forbidden band gap around 0.5 eV above the valance band. Theoretically obtained electrical and optical properties base on density functional theory method are shown wide spread absorption spectrum in the solar spectrum. As nature of exciton in these materials is near to Wannier-Mott type, we simulate our intermediate band-perovskite solar cell with the drift diffusion model such as inorganic solar cells and analyze the essential parameters of solar cells under the simulation condition.