DFT/CAM-B3LYP analysis of intermolecular interactions and morphological stability of binary PTB7-Th/Y6 blends in organic solar cells
Y6 and PTB7-Th are widely used acceptor and donor materials in high-efficiency organic solar cells; however, their binary blends are known to suffer from poor long-term morphological stability. Here, we provide a molecular-level explanation for this instability using a systematic density functional theory (DFT) conform...