Data from: High-polarity molecular-anchor design for high-mobility, stable perovskite transistors

Perovskite transistors have recently achieved field-effect mobility comparable to commercial polycrystalline silicon devices, yet their practical application remains limited by poor operating stability and current-voltage hysteresis arising from readily occurring ion migration. Unlike in optoelectronic devices, the high gate electric field in transistors exerts a strong Coulombic force that drives ion migration, so effective stabilization requires establishing sufficiently robust ion-anchoring interactions to suppress such field-induced ionic motion. Here, we propose a data-driven strategy that exploits molecular polarity to design optimal additives for halide perovskite films, enhancing their binding to mobile ions and thereby suppressing ion migration in transistors. We perform high-throughput screening of fluorinated ammonium-based molecules capable of strong dual hydrogen bonding across a >10^8-compound chemical space. This allows us to identify 14 promising additives that combine high molecular polarity with suitable molecular size while suppressing formation of two-dimensional perovskites. Three additives enabled perovskite transistors to achieve field-effect mobilities exceeding 25 cm2V-1s-1, with CF3PEA performing best at 41.3 cm2V-1s-1, on/off ratio of ~10^7, and stable switching currents over 9,000 cycles. These results highlight molecular polarity as a key descriptor for pinpointing strong ion-anchoring additives. Our data-driven design strategy is readily extendable to other perovskite systems, paving the way toward rational and targeted molecular engineering of perovskite transistors.