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April 17, 2026Nature Communications1 citationsOpen Access

Octahedral-rigidity-engineered linear dielectrics for harsh-temperature energy storage capacitors

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QWQi WangQZQiuyu ZhengXZXuetong Zhao

Key Points

  • This research aims to develop a dielectric material with high capacitive performance and thermal stability for energy storage applications.
  • Engineered octahedrally rigid framework using B-site ordering in ABO₃ perovskite structure.
  • Combined molecular dynamics simulations and density functional theory to analyze structural stability.
  • Conducted experiments to evaluate energy storage performance under high temperature and electric fields.
  • Achieved an energy density of 2.2 J cm–3 and 84% efficiency at 270 °C under 800 kV cm–1.
  • Energy density increased from 3.0 J cm–3 to 4.9 J cm–3 at 1150 kV cm–1.
  • Confirmed minimal lattice expansion and temperature-stable permittivity up to 500 °C.

Abstract

Next-generation dielectric energy storage technologies, spanning renewable energy systems, electrified transportation, and advanced propulsion platforms, necessitate stable operation under extreme thermal conditions. However, the inherent trade-off between high capacitive performance and thermal stability in existing dielectric materials imposes a critical bottleneck on their practical deployment. Here we engineer an octahedrally rigid framework by 1:2 B-site ordering (Mg/Nb) within an ABO₃ perovskite structure, synergistically coupled with Sr/Bi A-site chemistry to lock structure rigidity and tailor polarizability, culminating in a high-symmetry dual-cubic phase matrix for harsh-temperature capacitive energy storage. Finite-temperature ab initio molecular dynamics simulations combined with density functional theory analysis demonstrate the retention of cubic symmetry with minimal lattice expansion up to 500 °C, consistent with the temperature-stable permittivity and bandgap required for ultra-wide-temperature capacitive energy storage. Further experiments confirm the outstanding energy storage of Sr0.7Bi0.2Mg1/3Nb2/3O3 dielectrics, achieving an energy density of 2.2 J cm–3 and an efficiency of 84% at 270 °C under 800 kV cm–1, alongside a remarkable enhancement in energy density from 3.0 J cm–3 (96.5% efficiency) to 4.9 J cm–3 at 1150 kV cm–1 enabled by the cold sintering process. The symmetry-driven design, rooted in a cubic matrix, provides critical insight into achieving capacitors with both high energy density and thermal stability under harsh operating conditions. The authors engineer an octahedrally rigid perovskite dielectric with a dual-cubic framework and cold-sintering-enabled microstructure, enabling stable capacitive energy storage up to 270 °C.

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Cite This Study

Wang et al. (2026) studied this question.

synapsesocial.com/papers/69e1ce895cdc762e9d857926https://doi.org/10.1038/s41467-026-71800-6
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