Examining the potential of non-toxic stable double perovskite solar cells based on Cs2CuSbX6

Abstract

The main issues impeding the commercialization of perovskite solar cells are their toxicity and long-term stability. Thus, it is essential to find a robust and reliable alternative light absorber that is environmentally friendly and provides stability. Herein, we present stable and lead-free Cs2CuSbX6 (where X = Cl, Br, and I) double perovskite light harvesters as a substitute, which can render excellent efficiency and long-term stability. The double perovskite solar cells based on the Cs2CuSbX6 light harvester, the aluminium-doped ZnO electron transport layer, and the MoO3 and Cu2O hole transport layers are critically evaluated using the SCAPS-1D software package. The densities of defects and dopants as well as the thickness of the succeeding layers of the double perovskite solar cells are altered to extract high efficiency. With aluminium-doped ZnO serving as the electron transport layer, the optimized Cs2CuSbI6-based double perovskite solar cells attain a power conversion efficiency (PCE) of about ∼29% for both MoO3 and Cu2O hole transport layers. Several potential back electrodes are also investigated, and their impact on performance is assessed. The fluctuation in PCE concerning operating temperature is computed for authentic analysis of the double perovskite solar cells during real-time operation. Overall, in order to achieve high PCEs in Cs2CuSbI6-based double perovskite solar cells, it is crucial to consider both the thickness of the light harvester layer and the bulk defect density. © 2023 Elsevier Ltd