Issue 2, 2023, Issue in Progress

Integrated exploration of experimentation and molecular simulation in ester-containing polyimide dielectrics

Abstract

With the growing development of film capacitors in various applications, the requirements for polymer dielectrics have increased accordingly. In this work, a series of ester-cotaining polyimide (EPI) dielectrics were designed and fabricated. Futhermore, integrated exploration of experimentation and molecular simulation is proposed to achieve polymer dielectrics with advanced comprehensive performance, as well as to analyze the dielectric mechanism in-depth. The EPIs show superior thermal resistance and dielectric properties. A Weibull breakdown strength of 440–540 MV m−1, permittivity of 3.52–3.85, dissipation factor of 0.627–0.880% and theoretical energy density of 3.13–4.90 J cm−3 were obtained for the EPIs. The relationship between microscopic parameters and dielectric behavior was investigated in detail. According to the experimental and calculated results, there is close correlation between dipolar moment density (μ/Vvdw) and dielectric permittivity (εr). It is deduced that the integrated research of experiments and molecular simulation would be an effective strategy to reveal the dielectric mechanism as well as assist in the molecular design of polymer dielectrics.

Graphical abstract: Integrated exploration of experimentation and molecular simulation in ester-containing polyimide dielectrics

Supplementary files

Article information

Article type
Paper
Submitted
10 Oct 2022
Accepted
21 Dec 2022
First published
04 Jan 2023
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2023,13, 963-972

Integrated exploration of experimentation and molecular simulation in ester-containing polyimide dielectrics

J. Luo, H. Tong, S. Mo, F. Zhou, S. Zuo, C. Yin, J. Xu and X. Li, RSC Adv., 2023, 13, 963 DOI: 10.1039/D2RA06376J

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