Exploring performances of hybrid perovskites tin-based photovoltaic solar cells: Non-equilibrium Green's functions and macroscopic approaches

Abstract

We used two computational approaches to study hybrid perovskites tin-based photovoltaic solar cells. The first approach is based on electronic transport properties with density functional theory in combination to non-equilibrium Green's function formalism. We have investigated the transmission spectra and density of states. It was observed that the transmission gap decreases when it moves from MASnI3 to MASnBr3 exhibiting a larger electronic transport, thanks to delocalization of electronic state. The second approach is based on the drift-diffusion simulation, from which hybrid perovskites tin-based photovoltaic solar cells parameters were found notably dependent on the perovskite absorber layer thickness. The solar cell performance could be improved with surface recombination velocities in the range of 1–101 cm/s and 102–103 cm/s reaching efficiency of 16.07% and 12.52% for MASnIBr2 and MASnBr3.