High-temperature polymer composite capacitors with high energy density designed via machine learning

Minzheng Yang, Chaofan Wan, Le Zhou, Xiao Li, Jiayu Pan, Haoyang Li, Jian Wang, Weibin Ren, Binzhou Sun, Erxiang Xu, Yao Xiao, Mengfan Guo, Mufeng Zhang, Xin Li, Jianyong Jiang, Penghao Hu, Lian Duan, Ce-Wen Nan, Zhonghui Shen (), Xun Wang () and Yang Shen ()
Additional contact information
Minzheng Yang: Tsinghua University, State Key Laboratory of New Ceramic Materials, School of Materials Science and Engineering
Chaofan Wan: Wuhan University of Technology, State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Center of Smart Materials and Devices
Le Zhou: Tsinghua University, State Key Laboratory of New Ceramic Materials, School of Materials Science and Engineering
Xiao Li: Tsinghua University, Key Lab of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Department of Chemistry
Jiayu Pan: Wuzhen Laboratory, Research Center for New Functional Composites
Haoyang Li: Tsinghua University, Department of Chemistry, Engineering Research Center of Advanced Rare Earth Materials
Jian Wang: Wuhan University of Technology, State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Center of Smart Materials and Devices
Weibin Ren: Tsinghua University, State Key Laboratory of New Ceramic Materials, School of Materials Science and Engineering
Binzhou Sun: Wuzhen Laboratory, Research Center for New Functional Composites
Erxiang Xu: Tsinghua University, State Key Laboratory of New Ceramic Materials, School of Materials Science and Engineering
Yao Xiao: Tsinghua University, State Key Laboratory of New Ceramic Materials, School of Materials Science and Engineering
Mengfan Guo: University of Cambridge, Department of Materials Science
Mufeng Zhang: Tsinghua University, State Key Laboratory of New Ceramic Materials, School of Materials Science and Engineering
Xin Li: Tsinghua University, State Key Laboratory of New Ceramic Materials, School of Materials Science and Engineering
Jianyong Jiang: Wuzhen Laboratory, Research Center for New Functional Composites
Penghao Hu: Tsinghua University, State Key Laboratory of New Ceramic Materials, School of Materials Science and Engineering
Lian Duan: Tsinghua University, Key Lab of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Department of Chemistry
Ce-Wen Nan: Tsinghua University, State Key Laboratory of New Ceramic Materials, School of Materials Science and Engineering
Zhonghui Shen: Wuhan University of Technology, State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Center of Smart Materials and Devices
Xun Wang: Tsinghua University, Department of Chemistry, Engineering Research Center of Advanced Rare Earth Materials
Yang Shen: Tsinghua University, State Key Laboratory of New Ceramic Materials, School of Materials Science and Engineering

Nature Energy, 2025, vol. 10, issue 11, 1323-1333

Abstract: Abstract Polymer dielectrics are the primary energy storage media in electrostatic capacitors, which are essential components in power electronics for electric vehicles and renewable energy systems. Composite approach has been intensively explored to enhance the energy density (Ud) and breakdown strength (Eb) of polymers at high temperatures, but finding fillers with both a large bandgap (Eg) and high electronic affinity (Ea) remains challenging. Here, assisted by a generative machine learning approach, we discover and synthesize organic fillers of both a large Eg (~5.5 eV) and high Ea (~4.5 eV). These fillers enable polyimide composite films to deliver a Ud of 5.1 J cm−3 at discharge efficiency of 90% and 2 × 105 charge–discharge cycles at 250 °C. Moreover, we fabricate high-quality, kilometre-scale composite films using roll-to-roll processing and demonstrate that industrial capacitors incorporating these metalized composite films exhibit stable discharge and self healing in harsh environments.

Date: 2025
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DOI: 10.1038/s41560-025-01863-0

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