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<p>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 Sr<sub>0.7</sub>Bi<sub>0.2</sub>Mg<sub>1/3</sub>Nb<sub>2/3</sub>O<sub>3</sub> dielectrics, achieving an energy density of 2.2 J cm<sup>–3</sup> and an efficiency of 84% at 270 °C under 800 kV cm<sup>–1</sup>, alongside a remarkable enhancement in energy density from 3.0 J cm<sup>–3</sup> (96.5% efficiency) to 4.9 J cm<sup>–3</sup> at 1150 kV cm<sup>–1</sup> 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.</p>

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

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2026年4月15日

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  • Qi Wang,
  • Qiuyu Zheng,
  • Xuetong Zhao,
  • Jing Guo,
  • Shenglin Kang,
  • Jianglin Wang,
  • Yuchen Li,
  • Xinyuan Hou,
  • Hongwen Liu,
  • Li Cheng,
  • Lijun Yang,
  • Ruijin Liao,
  • Long Cheng,
  • Fei Li

摘要

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.