Efficient Hole Extraction by Doped-Polyaniline/Graphene Oxide in Lead-Free Perovskite Solar Cell: A Computational Study

Abstract The intriguing behavior of doped polyanilinine/Graphene Oxide (PANI/GO) offers a solution to the pivotal problem of device stability against moisture in Perovskite Solar Cell (PSC). Tunable bandgap formation of doped PANI/GO with an absorber layer allows effective flexibility for charge carrier conduction and reduced series resistance further boosting the cell performance. Herein, the L9 Orthogonal Array (OA) Taguchi-based GRA optimization was introduced to intensify the key output responses. Furthermore, this work also delved into incorporating a Pb-free absorber perovskite layer, formamidinium tin triiodide (FASnI3), and concomitantly eluding the environmentally hazardous substance. The numerical optimization supported by statistical analysis is based on experimental data to attain the utmost peak cell efficiency. Taguchi's L9 OA-based GRA predictive modeling recorded over one-fold enhancement over experimental results, reaching as high as 20.28% Power Conversion Efficiency (PCE). Despite that, the PCE of the structures is severely affected by interface defects at the ETL/Abs vicinity, which is almost zero at merely 1 × 1014 cm-2, manifesting that control measures need to be taken into account. This work deduces the feasibility of ETL/Abs stack structure in replacing the conventional Pb-based perovskite absorber layer, while maximizing the potential use of doped PANI/GO as an HTL.