Optimization of SnO2 Thickness in Perovskite Solar Cells Using Machine Learning
Sevdiye Basak Turgut a, Burak Kahraman a, Ahmet Yilanci a, Ceylan Zafer a, Burak Gultekin a
a Ege University Solar Energy Institute, Ege University Solar Energy Institute 35100 Bornova Izmir Turkey, Izmir, 35100, Turkey
Materials for Sustainable Development Conference (MATSUS)
Proceedings of MATSUS Fall 2024 Conference (MATSUSFall24)
#PeroMAT- Halide perovskite and perovskite- inspired materials: synthesis and applications
Lausanne, Switzerland, 2024 November 12th - 15th
Organizers: Raquel Galian, Lakshminarayana Polavarapu and Paola Vivo
Oral, Sevdiye Basak Turgut, presentation 241
DOI: https://doi.org/10.29363/nanoge.matsusfall.2024.241
Publication date: 28th August 2024

Utilizing machine learning in developing perovskite solar cells significantly reduces the need for extensive experimental trials, saving time and resources. This approach enhances the efficiency of perovskite solar cells by enabling the prediction of optimal material combinations and processing conditions based on existing data, leading to improved performance and reduced material usage. This study uses Machine Learning (ML) techniques to optimize the performance of Perovskite Solar Cells (PSCs) by determining the ideal thickness of the electron transport layer and the best coating parameters for high Power Conversion Efficiency (PCE). ML models are trained on extensive experimental data to predict outcomes based on varying electron transport layer thicknesses and coating conditions. A key benefit of this method is its ability to reduce the number of experiments needed to find the optimal parameters in solar cell production. This study utilizes a device configuration of ITO/SnO2/FAMAPbI3/Spiro-OMeTAD/MoO3/Ag. For optimizing the electron transport layer (SnO2) thickness in PSCs, a database was created from a series of experimental studies on coating parameters and environmental conditions. Three ML algorithms, Random Forest (RF), eXtreme Gradient Boosting (XGBoost), and Category Gradient Boosting (CatBoost), were chosen to optimize PCE. Hyperparameter optimization was performed using Bayesian optimization. Root Mean Square Error (RMSE) and Pearson Correlation Coefficient (r) were the metrics used to evaluate the models. The best results were achieved with XGBoost, showing an RMSE of 0.455 and a Pearson coefficient of 0.958. Consequently, the highest PCE obtained from the experimental studies has been increased from 13.2% to 14.26% with an 8% improvement under the predicted conditions.

Thanks to the Presidency of the Republic of Türkiye Strategy and Budget Department for laboratory infrastructure and substances (2016K12-2841). 

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