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- Title
Generative learning facilitated discovery of high-entropy ceramic dielectrics for capacitive energy storage.
- Authors
Li, Wei; Shen, Zhong-Hui; Liu, Run-Lin; Chen, Xiao-Xiao; Guo, Meng-Fan; Guo, Jin-Ming; Hao, Hua; Shen, Yang; Liu, Han-Xing; Chen, Long-Qing; Nan, Ce-Wen
- Abstract
Dielectric capacitors offer great potential for advanced electronics due to their high power densities, but their energy density still needs to be further improved. High-entropy strategy has emerged as an effective method for improving energy storage performance, however, discovering new high-entropy systems within a high-dimensional composition space is a daunting challenge for traditional trial-and-error experiments. Here, based on phase-field simulations and limited experimental data, we propose a generative learning approach to accelerate the discovery of high-entropy dielectrics in a practically infinite exploration space of over 1011 combinations. By encoding-decoding latent space regularities to facilitate data sampling and forward inference, we employ inverse design to screen out the most promising combinations via a ranking strategy. Through only 5 sets of targeted experiments, we successfully obtain a Bi(Mg0.5Ti0.5)O3-based high-entropy dielectric film with a significantly improved energy density of 156 J cm−3 at an electric field of 5104 kV cm−1, surpassing the pristine film by more than eight-fold. This work introduces an effective and innovative avenue for designing high-entropy dielectrics with drastically reduced experimental cycles, which could be also extended to expedite the design of other multicomponent material systems with desired properties. High-entropy ceramic dielectrics show promise for capacitive energy storage but struggle due to vast composition possibilities. Here, the authors propose a generative learning approach for finding high-energy-density high-entropy dielectrics in a practically infinite exploration space of over 1011 combinations.
- Subjects
DIELECTRICS; ENERGY density; DIELECTRIC films; POWER density; CERAMICS; ENERGY storage; ENTROPY
- Publication
Nature Communications, 2024, Vol 15, Issue 1, p1
- ISSN
2041-1723
- Publication type
Article
- DOI
10.1038/s41467-024-49170-8