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Data-Driven Analysis of Hole-Transporting Materials for Perovskite Solar Cells Performance by Marcos del Cueto; Charles Rawski-Furman; Juan Aragó; Enrique Ortí; Alessandro Troisi is a Materials Science article available to read on EtoBox.

What is Data-Driven Analysis of Hole-Transporting Materials for Perovskite Solar Cells Performance about?

We have created a dataset of 269 perovskite solar cells, containing information about their perovskite family, cell architecture, and multiple hole-transporting materials features, including fingerprints, additives, and structural and electronic features. We propose a predictive machine learning model that is trained on these data and can be used to screen possible candidate hole-transporting materials. Our approach allows us to predict the performance of perovskite solar cells with reasonable accuracy and is able to successfully identify most of the top-performing and lowest-performing hole-transporting materials in the dataset. We discuss the effect of data biases on the distribution of perovskite families/architectures on the model's accuracy and offer an analysis with a subset of the data to accurately study the effect of the hole-transporting material on the solar cell performance. Finally, we discuss some chemical fragments, like arylamine and aryloxy groups, which present a relatively large positive correlation with the efficiency of the cell, whereas other groups, like thiophene groups, display a negative correlation with power conversion efficiency (PCE).

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Author

Marcos del Cueto; Charles Rawski-Furman; Juan Aragó; Enrique Ortí; Alessandro Troisi

Publisher

American Chemical Society (ACS)

Published

2022

Language

EN

Field

Materials Science (Physical Sciences)