This study investigates the crucial role of charge transport layers in enhancing the performance of inverted organic photovoltaic cells (OPVs) through advanced numerical simulations using OghmaNano software. OPVs offer distinct advantages, including lightweight, flexibility, and potential cost-effectiveness compared to traditional silicon-based counterparts, making them pivotal for sustainable energy solutions. We evaluate the efficiency of inverted (iOPVs) employing binary (PM6:L8-BO) and ternary (PM6:D18:L8-BO) active layers, utilizing electron transport layers (ETLs) including ZnO, TiO2 , and SnO2 , and hole transport layers (HTLs) such as MoO3 , PEDOT, and WO3 . Results highlight ZnO with a 15 nm-thick layer combined with MoO3 HTL achieving an impressive efficiency of 18.89% in ternary devices, demonstrating the effectiveness of organic materials and ternary blends. The study demonstrates that TiO2 or SnO2 ETLs can compete effectively with ZnO ETLs, particularly when used at thinner thicknesses, and offers alternative fabrication methods. It suggests that employing thin ETL layers (15 ± 2 nm) could significantly enhance the performance of iOPV devices. Simulations are crucial for optimizing iOPV device configurations with thin ETL layers, enabling rapid prototyping and cost-effective exploration of material combinations and device architectures. These layers play a critical role in balancing charge carrier generation and transport efficiency, collectively maximizing device performance. Overall, the study underscores the pivotal role of simulations and optimized layer thicknesses in advancing OPV technology by refining manufacturing processes and accelerating the adoption of OPVs for sustainable energy solutions.