Insights from Device Modeling of Perovskite Solar Cells

Abstract

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 non-ideal energetic alignment in perovskite photovoltaic devices, we demonstrate a unique feature in low recombination perovskite materials-the formation of an interfacial, primarily electronic, selfinduced 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 advancements in the field.

Probing the ionic defect landscape in halide perovskite solar cells

“…This result is more in line with our expectations, since all the devices share the same extraction layers and contacts. As shown in a recent study 77 , a shift in V bi can also be caused by electronic charge carrier accumulation at the hole transport layer interface. While our calculation correct the influence of ions on V bi , we cannot rule out an additional electronic influence.…”

“…Interplay between the ionic and electronic landscapes. The mixed ionic-electronic conducting nature of perovskites dictates that the ionic and electronic landscapes of these materials cannot easily be decoupled 76,77 . One aspect linking the two is related to the effect of ion accumulation at the interfaces of the perovskite layer and the extraction layers that sandwich it 78 .…”

Electron/hole blocking layers as ionic blocking layers in perovskite solar cells

“…2c we see the known effect, where the combination of the built-in potential and the ion blocking by the BLs cause ion-accumulation at the perovskite-BL interface. 20 Our Phase II results, Fig. 2e, are very different.…”

“…6 Besides the efficiency benchmarking there have also been advances in understanding the chemistry, physics, and device chemical-physics of these cells. We 20,28 and others 23,[29][30][31][32][33] have addressed ion migration within the perovskite layer through device models and its relation to hysteresis, builtin potential, traps, etc. In the context of device stability there are several experimental reports highlighting the process of ion migration into the electron/hole blocking layers.…”

Identification of recombination losses and charge collection efficiency in a perovskite solar cell by comparing impedance response to a drift-diffusion model

“…DD models have successfully been used to simulate the current-voltage ( JV) curves of a variety of perovskite solar cells and helped researchers to understand the origin of the hysteresis observed in many cases in terms of dynamic ionic redistribution over the course of the voltage scan. [25][26][27][28][29][30][31] Recent developments include models that explicitly account for the influence of the selective contact materials on a cell's behaviour 30 and predictions of the response of the solar cell to small-perturbations in applied voltage and light intensity. [32][33][34] The latter area is the focus of this paper.…”