Abstract:
Halide Perovskite materials have recently
emerged as a promising material for solar energy absorption,
overcoming all the barriers and limiting factors, due to the
continuous and fast growing researches. Here, the ability of Bi
to replace Pb in CH3NH3PbI3 was examined using a
computational modeling process using Vienna Ab-initio
Simulation Package (VASP). It has been obtained a band gap
of 1.0514 eV for CH3NH3BiI3 while CH3NH3PbI3 showed 1.524
eV and 1.458 eV for cubic and tetragonal structures
respectively. Observed electron transferring process of
CH3NH3BiI3, matches closely with CH3NH3PbI3. This study
explores the potential of Methyl Ammonium Bismuth Iodide
(MBI) to be used as a perovskite solar absorber while
engineering the band gap to match it closely with that of
CH3NH3PbI3.
