A critical review of unrealistic results in SCAPS-1D simulations: Causes, practical solutions and roadmap ahead

One-dimensional Solar Cell Capacitance Simulator (SCAPS-1D) has become a widely used and popular electrical simulation tool in the photovoltaic community. Recently, with the realization of broad chemical tunability provided by perovskite materials, there has been a concerning increase in scientific papers reporting inflated solar cell device performance that deviates significantly from the best experimental results, with some even surpassing the fundamental Shockley-Queisser limit. While some of these projections might suggest significant potential for experimental advancements, it is crucial to approach such exaggerated results with caution. In this study, a comprehensive survey of over 250 reported perovskite solar cell architectures yielded the undeniable implication that such results are primarily due to unrealistic input parameters such as low radiative recombination coefficient, low defect densities, and high doping concentrations. Additionally, inconsistencies in simulation methods and the optical limitations of SCAPS-1D have also been explored. To address these issues, several recommendations, including a standard simulation protocol, have been proposed. Software-generated results may not always represent the actual cell performance as they heavily rely on the validity of inputs and software algorithms.