Halogenation Strategy: Simple Wide Band Gap Nonfullerene Acceptors with the BODIPY-Thiophene-Backboned Polymer Donor for Enhanced Outdoor and Indoor Photovoltaics

Researchers have been motivated to develop photovoltaic systems that can efficiently convert artificial light into power with the growing use of indoor electrical devices for the Internet of Things. Understanding the impact of molecular design strategies involving morphological optimization through the terminal group of the non-fullerene acceptors (NFAs) is crucial. This is critically important to enhancing the photovoltaic efficiency of organic photovoltaic devices under diverse irradiation conditions. Halogenation of terminal groups proves to be a standout approach for adjusting energy levels, refining light-harvesting capabilities, crystallinity, and bolstering the intermolecular stacking in NFAs. Herein, we have designed two simple NFAs, <b>DICTF-4F</b> and <b>DICTF-4Cl</b>, to explore the dihalogenation (F and Cl) effect on the terminal group on the optical and electrochemical properties. After combining with the BODIPY-thiophene-backboned donor polymer P(BdP-HT), the organic solar cells (OSCs) using an optimized active layer with P(BdP-HT):<b>DICTF-4F</b> and P(BdP-HT):<b>DICTF-4Cl</b> attained a power conversion efficiency (PCE) of about 8.03 and 14.16%, respectively, under 1 sun illumination. Moreover, the OSC-based P(BdP-HT):<b>DICTF-4Cl</b> active layer showed a PCE approaching 24% under 1000 lx indoor conditions.