Exploring the Way To Approach the Efficiency Limit of Perovskite Solar Cells by Drift-Diffusion Model

Drift-diffusion model is an indispensable modeling tool to understand the carrier dynamics (transport, recombination, and collection) and simulate practical-efficiency of solar cells (SCs) through taking into account various carrier recombination losses existing in multilayered device structures. Exploring the way to predict and approach the SC efficiency limit by using the drift-diffusion model will enable us to gain more physical insights and design guidelines for emerging photovoltaics, particularly perovskite solar cells. Our work finds out that two procedures are the prerequisites for predicting and approaching the SC efficiency limit. First, the intrinsic radiative recombination needs to be corrected after adopting optical designs which will significantly affect the open-circuit voltage at its Shockley–Queisser limit. Through considering a detailed balance between emission and absorption of semiconductor materials at the thermal equilibrium and the Boltzmann statistics at the nonequilibrium, we offe...