The Numerical Simulation of a Non-Fullerene Thin-Film Organic Solar Cell with Cu2FeSnS4 (CFTS) Kesterite as a Hole Transport Layer Using SCAPS-1D

Global warming and environmental pollution due to the overuse and exploitation of fossil fuels are the main issues affecting humans’ well-being. Solar energy is considered to be one of the most promising candidates for providing human society with a clean and sustainable energy supply. Thin-film organic solar cells (TFOSCs) use organic semiconductors as light-absorbing layer materials. TFOSCs have attracted wide research interest due to several advantages, such as easy fabrication, affordability, light weight, and environmental friendliness. Over the years, TFOSCs have been dominated by donor–acceptor blends based on polymer donors and fullerene acceptors. However, a new class of non-fullerene acceptors (NFAs) has gained prominence in TFOSCs owing to their significant improvement in the power conversion efficiency (PCE) of non-fullerene-based devices. In this study, the One-Dimensional Solar Cell Capacitance Simulator (SCAPS-1D) numerical simulator was used to study the performance of a device with a configuration of FTO/PDINO/PBDB-T/ITIC/CFTS/Al. Here, the PBDB-T/ITIC polymer blend represents poly(2,6-(4,8-bis(5-(2 ethylhexyl)thiophen-2-yl)benzo [1,2-b:4,5-bdithiophene)-co-(1,3-di(5-thiophene-2-yl)-5,7-bis(2-ethylhexyl)benzo 1,2-c:4,5-cdithiophene-4,8-dione)] (PBDB)/3,9-bis(2-methylene-(3-(1,1-dicyanomethylene)-indanone)-5,5,11,11-tetraki(4-hexylphenyl)-dithieno2,3-d:2,3-d-s-indaceno 1,2-b:5,6-bdithiophene) (ITIC) and the non-fullerene acceptor (NFA) and serves as the absorber layer. The electron transport layer (ETL) was 2,9-Bis3-(dimethyloxidoamino)propylanthra2,1,9-def:6,5,10-d’e’f’diisoquinoline-1,3,8,10(2H,9H)-tetrone (PDINO), and Cu2FeSnS4 (CFTS) was used as a hole transport layer (HTL). This research article aims to address the global challenges of environmental pollution and global warming caused by the overuse of fossil fuels by exploring alternative energy solutions. Upon optimization, the device achieved a power conversion efficiency (PCE) of 16.86%, a fill factor (FF) of 79.12%, a short-circuit current density (JSC) of 33.19 mA cm−2, and an open-circuit voltage (VOC) of 0.64 V. The results obtained can guide the fabrication of NFA-based TFOSCs in the near future.