SCAPS Modeling and Improvement of the Characteristics of Cu/ZnO/P3HT/Pt Hybrid Solar Cells with Inorganic Electron Transport Layer

Abstract

This study presents a thorough optimization approach for Cu/ZnO/P3HT/Pt hybrid solar cells (HSCs), providing insights into the interactions of several crucial parameters. Significant performance improvements are attained by carefully adjusting the absorber and electron transport layer (ETL). Enhancement of open-circuit voltage (V_OC) and reduction in recombination represent principal mechanisms by which precise aluminum doping in ZnO contributes to increased power conversion efficiency (PCE). In our simulations, an aluminum doping concentration of 4% in ZnO, an ETL thickness optimized at 0.004 µm, and an electron affinity set to 4.25 eV (the energy released when an electron binds to a neutral atom or molecule) together improve the PCE.
A critical finding is the identification of an optimal absorber layer thickness (2.5 µm), which achieves a maximum PCE of 16.82%. An examination of the interface fault density revealed a critical threshold of 10¹³ 1/cm², above which the performance started to decline quickly. The ideal operating point is found to be 313 K based on temperature-dependent research, with a peak PCE of 17.13%. Integrating advanced current-voltage characterization, innovative band alignment studies, and comprehensive temperature-dependent analyses, this work advances the theoretical framework for optimizing HSCs.
This research opens new avenues for the rational design of high-efficiency photovoltaics and highlights the transformative potential of multiparameter optimization and interface engineering in next-generation solar technologies.