The effort emphasizes the numerical analysis of different transparent conducting oxides (TCOs) perspectives, which include ITO, FTO, AZO, and IZO anode-based organic solar cells (OSCs) with the drift-diffusion approach. The prior selection of aluminum-doped zinc oxide (AZO) as TCO is feasible for more extended transparency and antireflection due to a tailored absorption wavelength of <380 nm and the factors of higher mechanical flexibility, low-cost processing, and realistic performance at lower temperatures. To confirm the stability and reproducibility of the design OSC, the contribution of each interfacial layer thickness, i.e., AZO as TCOs, P3HT: PC61BM as an organic absorbing layer (OAL), Spiro-OMeTAD (SOT) as a hole-transport layer (HTL), and ZnO as an electron-transport layer (ETL), is also investigated. Furthermore, functions of optimum trap-state densities (Nt) and charge carrier mobility (μn,p) in OAL have been performed to aid in increasing the diffusion length of excitons carriers (L(n,p)). These properties led to better photo generation and transport of charge carriers, decreasing the series resistance (RS), leading to lower bimolecular recombination, a long carrier lifetime (ζn,p), and consequently higher power conversion efficiency (PCE). The findings revealed that the proposed OSC structure achieves an excellent PCE of 10.28% for AZO as TCO with an 850 nm ultra-thick OAL under AM 1.5G light irradiation. Hence, a better fabrication process for efficient OSC could also be improved by the optimization of all these critical factors for future research.
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