Efficient hole extraction by doped-polyaniline/graphene oxide in lead-free perovskite solar cell: a computational study

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 L 9 Orthogonal Array (OA) Taguchi-based grey relational analysis (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 (FASnI 3 ), 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 L 9 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 electron transport layer/absorber (ETL/Abs) vicinity, which is almost zero at merely 1 × 10 14 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 a hole transport layer (HTL).