Examining the Relationship between Synthetic Accessibility and Efficiency in Organic Solar Cells: A Statistical Analysis

Abstract

This article employs statistical analysis to explore the relationship between the performance of organic solar cells and synthetic accessibility (SA) of donor and acceptor materials. No significant correlation is identified between the power conversion efficiency (PCE) and SA scores. This study also utilizes the structure activity landscape index to examine how structural variations affect the PCE and SA score. Interestingly, structural alterations exhibit a more pronounced influence on PCE as compared to SA scores, particularly evident in donor molecules, which display greater structural diversity. Chemical similarity analysis was conducted through heatmap and cluster analysis.