Non-Invasive Composition Identification in Organic Solar Cells via Deep Learning.

Accurate identification of active-layer compositions in organic photovoltaic (OPV) devices often relies on invasive techniques such as electrical measurements or material extraction, which risk damaging the device. In this study, we propose a non-invasive classification approach based on simulated full-device absorption spectra. To account for fabrication-related variability, the active-layer thickness varied by over ±15% around the optimal value, creating a realistic and diverse training dataset. A multilayer perceptron (MLP) neural network was applied with various activation functions, optimization algorithms, and data split ratios. The optimized model achieved classification accuracies exceeding 99% on both training and testing sets, with minimal sensitivity to random initialization or data partitioning. These results demonstrate the potential of applying deep learning to spectral data for reliable, non-destructive OPV composition classification, paving the way for integration into automated manufacturing diagnostics and quality control workflows.