Jack Arayro

In this investigation, we employ a numerical simulation approach to model a hydrogenated lead-free Cs2AgBiBr6 double perovskite solar cell with a p-i-n inverted structure, utilizing SCAPS-1D. Contrary to traditional lead-based perovskite solar cells, the Cs2AgBiBr6 double perovskite exhibits reduced toxicity and enhanced stability, boasting a maximum power conversion efficiency of 6.37%. Given its potential for improved environmental compatibility, achieving higher efficiency is imperative for its practical implementation in solar cells. This paper offers a comprehensive quantitative analysis of the hydrogenated lead-free Cs2AgBiBr6 double perovskite solar cell, aiming to optimize its structural parameters. Our exploration involves an in-depth investigation of various electron transport layer materials to augment efficiency. Variables that affect the photovoltaic efficiency of the perovskite solar cell are closely examined, including the absorber layer’s thickness and doping concentration, the hole transport layer, and the absorber defect density. We also investigate the impact of the doping concentration of the electron transport layer and the energy level alignment between the absorber and the interface on the photovoltaic output of the cell. After careful consideration, zinc oxide is chosen to serve as the electron transport layer. This optimized configuration surpasses the original structure by over four times, resulting in an impressive power conversion efficiency of 26.3%, an open-circuit voltage of 1.278 V, a fill factor of 88.21%, and a short-circuit current density of 23.30 mA.cm−2. This study highlights the critical role that numerical simulations play in improving the chances of commercializing Cs2AgBiBr6 double perovskite solar cells through increased structural optimization and efficiency.

A hybrid tin-based (GA0.2FA0.78SnI3-1% EDAI2) perovskite solar cell (PSC) with a p-i-n inverted structure has been reported to pass all the rigorous standard tests successfully and achieve a certified power conversion efficiency (PCE) of 8.3%. Our previous numerical study showed that this PCE could be considerably increased to 24.1% by engineering and controlling the interfaces of the cell. The aim of the current study is to compare the performance of a conventional n-i-p structure with its inverted p-i-n analog quantitatively, and demonstrate that, by improving the conventional structure, it can achieve a PCE score approximately equal to the inverted p-i-n structure. To that end, the absorber layer was chosen to be GA0.2FA0.78SnI3-1% EDAI2, while four ETL (electron transport layer) materials (TiO2, WS2, SnO2, and ZnOS), and four HTL (hole transport layer) materials (PEDOT:PSS, Cu2O, CuSCN, and CuI) were considered. Most used ETL/HTL combinations have been rigorously investigated with the aim of finding the ultimate configuration, providing the highest photovoltaic properties. Additionally, the effect of the layers’ thicknesses and their doping concentrations were inspected, and their impact on the photovoltaic properties of the PSC was investigated. The optimized structure with CuI (copper iodide) as the HTL and ZnOS (zinc oxysulphide) as the ETL scored a PCE of 24.1%, which is comparable to the value found with the inverted structure (26%). The current numerical simulation on GA0.2FA0.78SnI3-1% EDAI2 could be considered as a milestone in its chances for commercial development.