Rational design of all-organic flexible high-temperature polymer dielectrics

Advanced polymer dielectrics are desired for high-temperature, high-density, and high-efficiency energy storage. The paradox of mutually exclusive constraints between high field endurance, dielec-tric polarization, and thermal stability amounts to a huge obstacle in the design of all-organic polymer dielectrics for safe operation un-der harsh conditions. Although there are a plethora of functional group class polymers that have been investigated and reported, there remains a large unexplored design space. A perspective of the magnitude of the grand challenge, accelerated and targeted exploration of polymer dielectrics with the rational molecular design assisted by informatics-based approaches, is presented here for the generative design and further development of poly-mers with superior thermal stability, high electric field endurance, and strong dielectric polarization.