Insights from Device Modeling of Perovskite Solar Cells

In this Perspective, we explore the insights into the device physics of perovskite solar cells gained from modeling and simulation of these devices. We discuss a range of factors that influence the modeling of perovskite solar cells, including the role of ions, dielectric constant, density of states, and spatial distribution of recombination losses. By focusing on the effect of nonideal energetic alignment in perovskite photovoltaic devices, we demonstrate a unique feature in low-recombination perovskite materials: the formation of an interfacial, primarily electronic, self-induced dipole that results in a significant increase in the built-in potential and device open-circuit voltage. Finally, we discuss the future directions of device modeling in the field of perovskite photovoltaics, describing some of the outstanding open questions in which device simulations can serve as a particularly powerful tool for future advances in the field.