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

Abstract

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, dielectric polarization, and thermal stability amounts to a huge obstacle in the design of all-organic polymer dielectrics for safe operation under 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 polymers with superior thermal stability, high electric field endurance, and strong dielectric polarization. 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, dielectric polarization, and thermal stability amounts to a huge obstacle in the design of all-organic polymer dielectrics for safe operation under 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 polymers with superior thermal stability, high electric field endurance, and strong dielectric polarization.