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.

我们使用两种计算方法来研究混合钙钛矿锡基光伏太阳能电池。第一种方法是基于电子传输性质，结合密度泛函理论和非平衡格林函数形式主义。我们研究了透射光谱和状态密度。据观察，所述传输间隙减小时，它从移动MASnI ₃至MASnBr ₃由于电子国家的非本地化，电子运输量更大。第二种方法基于漂移-扩散模拟，从中可以看出，基于钙钛矿的杂化钙钛矿混合太阳能电池的参数明显取决于钙钛矿吸收层的厚度。表面重组速度在1–10 ¹  cm / s和10 ² –10 ³  cm / s的范围内，可以提高太阳能电池的性能，MASnIBr ₂和MASnBr _3的效率达到16.07％和12.52％。