Improved eco-friendly CsSn 0.5 Ge 0.5 I 3 perovskite photovoltaic efficiency beyond 20% with SMe-TATPyr hole-transporting layer

• Published in: Physical chemistry chemical physics : PCCP 2024-01, Vol.26 (4), p.3229-3239
• Main Authors: Mohammed, Mustafa K A, Al-Gazally, Moaed E, Khaleel, Omar A, Al-Mousoi, Ali K, Jeddoa, Zuhair Mohammed Ali, Majdi, Hasan Sh, Jabir, Majid S, Hossain, M Khalid, Hatshan, Mohammad Rafe, Rahman, Md Ferdous, Dastan, Davoud
• Format: Article
• Language: English
• ISSN: 1463-9076; 1463-9084
• DOI: 10.1039/D3CP05445D

Perovskites composed of inorganic cesium (Cs) halide provide a route to thermally resistant solar cells. Nevertheless, the use of hole-transporting layers (HTLs) with hydrophobic additives is constrained by moisture-induced phase deterioration. Due to significant electrical loss, dopant-free HTLs are unable to produce practical solar cells. In this article, we designed a two-dimensional 1,3,6,8-tetrakis[5-( , -di( -(methylthio)phenyl)amino- -phenyl)-thiophen-2-yl]pyrene (termed SMe-TATPyr) molecule as a new HTL to regulate electrical loss in lead-free perovskite solar cells (PSCs). We optimized the power conversion efficiency (PCE) of PSCs based on mixed tin (Sn)/germanium (Ge) halide perovskite (CsSn Ge I ) by exploring different factors, such as the deep and shallow levels of defects, density of states at the valence band ( ), thickness of the perovskite film, p-type doping concentration ( ) of HTL, the series and shunt resistances, and so on. We carried out comparative research by employing the 1D-SCAPS (a solar cell capacitance simulator) analysis tool. Through optimization of the PSC, we obtained the highest parameters in the simulated solar cell structure of fluorine tin oxide (FTO)/titanium dioxide (TiO )/CsSn Ge I /SMe-TATPyr/gold (Au), and the PCE reached up to 20% with a fill factor (FF) of 81.89%.