Semnan University Press Journal of Modeling and Simulation in Electrical and Electronics Engineering 2821-0786 6 3 2026 09 01 Improving Photovoltaic Performance by Tuning Interface Band Alignment in CBTS/CH3NH3PBI3/ZnO Perovskite Solar Cells 19 35 10796 10.22075/mseee.2026.40126.1243 EN Ali Ghasemi Koosheh Department of Power Electrical Engineering, Faculty of Engineering, Shahed University, Tehran, Iran. Seyed Mohammad Sadeghzadeh Department of Power Electrical Engineering, Faculty of Engineering, Shahed University, Tehran, Iran. Iman Gharibshahian Electrical and Computer Engineering Faculty, Semnan University, Semnan, Iran. Reza Keypour Electrical and Computer Engineering Faculty, Semnan University, Semnan, Iran. Journal Article 2025 12 21 This work presents a novel CH₃NH₃PbI₃-based perovskite solar cell structure with low-cost and widely available Cu₂BaSnS₄ (CBTS) and ZnO materials as charge transport layers (CTLs). A comprehensive<strong> </strong>analysis was conducted on the performance of the standard CH₃NH₃PbI₃ cell, which comprises FTO/TiO₂/CH₃NH₃PbI₃/Spiro-OMeTAD/Au structure, and the suggested structure of FTO/ZnO/CH₃NH₃PbI₃/CBTS/Ni. We evaluated the characteristics of perovskite cells (PCs) by assessing the effect of the bulk defect density of the CH₃NH₃PbI₃ layer and the thicknesses of different layers. Moreover, we examined the impact of interface defects at the CTLs/CH₃NH₃PbI₃ interfaces. The thickness and defect of the CH₃NH₃PbI₃ layer are fine-tuned to 900 nm and 7×10¹³ cm^-3, respectively, resulting in an optimized efficiency of 26.38%. This research demonstrates that incorporating CBTS as a positive charge-transport layer (PCTL) and ZnO as a negative charge transport layer significantly enhances J_sc by establishing proper band alignment with the CH₃NH₃PbI₃ absorber. This enhancement improves cell efficiency by reducing interface carrier recombination. Finally, we assessed the variation of operating temperature, cell parasitic resistances, and rear electrode work function on the efficiency. These results suggest that CBTS and ZnO materials have the potential to serve as CTLs for the production of economical, exceptionally effective solar devices based on CH₃NH₃PbI₃ material. https://mseee.semnan.ac.ir/article_10796_5fd7cbbc45010f147c06926c44aff0b7.pdf