Delineation of Thermodynamic and Kinetic Factors that Control Stability in Non-fullerene Organic Solar Cells

Abstract

Summary Although non-fullerene small molecular acceptors (NF-SMAs) are dominating current research in organic solar cells (OSCs), measurements of thermodynamics drivers and kinetic factors determining their morphological stability are lacking. Here, we delineate and measure such factors in crystallizable NF-SMA blends and discuss four model systems with respect to their meta-stability and degree of vitrification. We determine for the first time the amorphous-amorphous phase diagram in an NF-SMA system and show that its deep quench depth can result in severe burn-in degradation. We estimate the relative phase behavior of four other materials systems. Additionally, we derive room-temperature diffusion coefficients and conclude that the morphology needs to be stabilized by vitrification corresponding to diffusion constants below 10−22 cm2/s. Our results show that to achieve stability via rational molecular design, the thermodynamics, glass transition temperature, diffusion properties, and related structure-function relations need to be more extensively studied and understood.