Numerical optimization of chalcogenide perovskite solar cells using PEDOT PSS as hole transport layer through SCAPS 1D simulation

Abstract Perovskite solar cells (PSCs) display extraordinary power conversion efficiencies (PCEs); as the third-generation thin film solar cell, it showcases remarkable PCE nearing 25%, surpassing other solar cell types such as C-Si (23%), CdTe (22%), and CIGS (23–24%). Nevertheless, challenges like instability, lead toxicity, and interfacial recombination obstruct their market introduction. This study utilized a numerical simulation method with SCAPS-1D to evaluate the efficacy of chalcogenide-based perovskite solar cells featuring a structure of FTO/CdS/BaZrS 3 /HTL/Ir. Four-hole transport layers (HTLs)-Cu 2 O, CuSCN, P3HT, and PEDOT: PSS-were evaluated to examine the way they affect the performance of the device. The thickness of the absorber and the bulk densities in the HTL were optimized for peak efficiency. Of all the configurations, devices based on PEDOT: PSS reached the highest PCE of 23.63% while the other devices based on P3HT, CuSCN, and Cu 2 O reached the PCE of 12.21%, 12.25%, and 14.14% respectively. The other photovoltaic parameters for the best device having PEDOT: PSS as HTL were an open-circuit voltage (Voc) of 1.261691 (V), short-circuit current density (Jsc) of 22.42723734 mA/cm 2 , and a Fill Factor of 83.53% due to advantageous energy alignment and diminished recombination losses. This study highlights the significance of selecting HTL and optimize absorbers in order to achieve effective, environmentally friendly PSCs.