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Simulation-Guided Engineering of Hierarchical Domain Structures for High-Efficiency MLCCs
Jia-Jia Ren1,2, Zhaochen Xi1, Diming Xu1
1Key Laboratory of Multifunctional Materials and Structures, Ministry of Education, School of Electronic Science and Engineering, Xi'an Jiaotong University, Xi'an710049, Shaanxi, China.
ACS Applied Materials & Interfaces
|August 10, 2026
Summary
Researchers developed a new design for multilayer ceramic capacitors (MLCCs) using paraelectric modulation. This breakthrough enhances energy storage density and efficiency for advanced electronics.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Ceramic Engineering
Background:
- Miniaturization of electronic systems requires high energy density multilayer ceramic capacitors (MLCCs).
- Existing MLCCs face challenges in balancing energy density, efficiency, and reliability.
- Need for advanced dielectric materials and rational design strategies for energy storage.
Purpose of the Study:
- To establish a rational design protocol for high-performance MLCCs.
- To demonstrate the effectiveness of paraelectric modulation in enhancing polarization.
- To achieve high energy density and efficiency in MLCCs through atomic-scale control.
Main Methods:
- Phase-field simulations to guide material design.
- Atomic-scale regulation within a 0.88 Ba0.8Sr0.2TiO3-0.12Bi(Li0.5Ta0.5)O3 system.
- Multiscale characterization including HAADF-STEM and PFM.
Main Results:
- Demonstrated superiority of paraelectric modulation for robust polarization.
- Observed breakdown of global domains into polar nanoregions (PNRs) and preservation of ferroelectric correlations.
- Achieved a recoverable energy density of 10.17 J/cm3 with 98.3% efficiency.
- Exhibited robust operational stability up to 691 kV/cm.
Conclusions:
- A hierarchical architecture reconciling high polarization with low energy loss was achieved.
- The developed design protocol offers a pathway for reliable MLCC fabrication.
- This work advances dielectric energy storage technology from theory to practical application.
