AI Bridges Theory and Practice: 18% Efficient SIS Solar Cells via Defect-Tuned ZnO/TiO₂/p-Si structure
Pages 282-297
https://doi.org/10.48309/jeires.2025.519634.1207
A. Bouriche, C.E. Benouis, M. Benhaliliba, K. Dris
Abstract Persistent efficiency limitations and manufacturing challenges in silicon photovoltaics necessitate innovative strategies. This study introduces an artificial intelligence AI-driven optimization framework for n-ZnO/TiO₂/p-Si solar cells using semiconductor-insulator-semiconductor (SIS) heterojunction engineering. A hybrid deep learning model DeepSeek combined with Bayesian-optimized SCAPS-1D simulations, tuned critical parameters: ZnO thickness, TiO₂/Si interface defects, and p-Si doping. The AI-optimized design achieved 16.93% power conversion efficiency (PCE) under AM1.5G illumination, closely aligning with the predicted 17.99%. Key innovations include an 80 nm ZnO layer to minimize resistive losses and enhance carrier extraction, paired with ultra-low TiO₂/Si interface defect density (5×10¹¹ cm⁻²). The SIS architecture employs TiO₂ as an electron transport layer and ZnO as a hole-blocking layer. AI analysis revealed a Type-II band alignment at the TiO₂/ZnO interface, synergistically enhancing open-circuit voltage (Voc) and fill factor (FF >79%). This defect-aware design suppresses carrier recombination, outperforming conventional PN-junction cells through superior carrier selectivity. The AI-driven workflow reduced computational costs by 15%, offering a scalable pathway for high-efficiency photovoltaics. By bridging theoretical modelling with experimental feasibility, this work highlights AI’s transformative potential in accelerating material discovery and device optimization. These advancements position AI as a cornerstone for next-generation, cost-effective solar technologies, accelerating the global transition to sustainable energy solutions.






