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.

先进的聚合物电介质是高温、高密度和高效能量存储的理想选择。高场耐受性、介电极化和热稳定性之间相互排斥的矛盾是设计全有机聚合物电介质以在恶劣条件下安全运行的巨大障碍。尽管已经研究和报告了过多的官能团类聚合物，但仍有很大的未开发设计空间。本文从基于信息学的方法辅助的合理分子设计，加速和有针对性地探索聚合物电介质的巨大挑战的重要性的角度，提出了具有卓越热稳定性、高电场耐受性的聚合物的生成设计和进一步开发,