Latest Designing Principle on the Microstructure and Lattice-Structure for High-Energy-Density Antiferroelectric Materials in Fast Discharging Applications

Abstract

Antiferroelectric (AFE) materials are considered to have a potentially ultrahigh energy density, which is a determinant for pulse capacitors used in the energy storage section of fast discharging applications. Optimization of the energy density in AFE materials has basically focused on the modulation of compositions or microstructure according to some empirical principles. An efficient, targeted, and in-depth designing strategy is always expected based on some distinct structure−property relationships. In this work, we investigated an AFE material, La-doped Pb(Yb 1/2 Nb 1/2 ) 0.92 Ti 0.08 O 3 , summarizing two effective designing criteria from the microstructure to lattice-structure: (1) Introducing the secondary phase, featuring slightly lower permittivity but higher resistivity, is conducive to breakdown strength E B and energy density. The measurement of TEM, XRD, SEM, and the complex impedance spectrum proves that the introduced inhomogeneous phase redistributed the local electric field and improved E B based on the Poisson electrostatic equation. (2) Modulating the primitive cell to that with a larger c pc /a pc ratio intensified [BO 6 ] tilting, and a weakened [BO 6 ] distortion leads to the stabilized AFE phase, subsequently enhancing the energy density. This is verified in the energy landscape of the different lattice-structure by density functional theory (DFT) calculation. On the basis of the two criteria, this work greatly enhances the recoverable energy density to 8.22 J cm −3 under an ultrahigh 49.2 kV mm −1 electric field, superior to most alternatives of dielectric energy storage materials. This work initially establishes effective designing criteria from the microscale to lattice scale instead of empirical compositional design, expected to contribute to further explorations on fundamental structure−property relationships for AFE energy storage materials.

High‐energy storage density in NaNbO3‐modified (Bi0.5Na0.5)TiO3‐BiAlO3‐based lead‐free ceramics under low electric field

“…For low NN addition ( x ≤ 0.14), the dielectric loss significantly decreases so that the E b value continuously increases. However, with NN further increasing to x = 0.16, the increasing dielectric loss and increasing secondary phase content make the ceramics leaky, resulting in a lower E b value 42 . Therefore, x = 0.14 composition ceramics possess the largest E b value due to the lowest dielectric loss and appropriate secondary phase.…”

“…Apparently, the BDS first increases with appropriate amount of NN content, from 12.62 kV/mm at x = 0 to 17.77 kV/mm at x = 0.14, and then, decreases to 16.04 kV/mm with a further addition of the NN content. Generally, the BDS is determined by a couple of factors, such as the microstructure, [37][38] conductivity mechanism, [39][40][41] secondary phase, 42 and extrinsic parameters. For BNT-BA-xNN ceramics, the variation of BDS with increasing NN content may be related to the evolution of dielectric loss and the content of secondary phase.…”

Effect of electric hysteresis on fatigue behavior in antiferroelectric bulk ceramics under bipolar loading

“…16 La 3+ was also reported to further stabilize the AFE order in Pb(Yb 1/2 Nb 1/2 ) 0.92 Ti 0.08 O 3 ceramics. 23 3.2.2 Electric field-induced polarization. The polarization response of the AFE ceramics to the first cycle of applied electric field is presented in Fig.…”

Giant Energy-Storage Density and Thermally Activated Phase Transition in (Pb0.96La0.04)(Zr0.99Ti0.01)O3 Antiferroelectric Ceramics

“…13,14 However, the W rec of most lead-free ceramics is low. 15 In contrast, the higher energy density of PbZrO 3 (PZ) based AFE materials is more suitable for practical application. For instance, (Pb 0.98 La 0.02 )-(Zr 0.45 Sn 0.55 ) 0.995 O 3 ceramics exhibited a large W rec value (7.09 J/cm 3 ) and Huang et al also found that (Pb 0.91 Ba 0.045 La 0.03 )(Zr 0.6 Sn 0.4 ) ceramics reached an excellent W rec value (8.16 J/cm 3 ).…”