Antiferroelectric capacitors hold great promise for high-power energy storage. Here, through a first-principles-based computational approach, authors find high theoretical energy densities in rare earth substituted bismuth ferrite, and propose a simple model to …
Similar to the canonical antiferroelectric (AFE) compound PbZrO 3 in Pb(Zr,Ti)O 3 solid-solutions, the presence of double hysteresis loops and that of electric field–induced phase transitions are important characteristics of NaNbO 3 AFE materials; yet the phase transition behavior in the latter system is typically irreversible with the related …
Antiferroelectric (AFE) HfO 2 /ZrO 2-based thin films have recently emerged as a potential candidate for high-performance energy storage capacitors in miniaturized power electronics. However, the materials suffer from the issues of the trade-off between energy storage density (ESD) and efficiency, as well as the difficulty in scaling up of the film …
To investigate the multivariate effects on the domain structure and energy storage performance of PZO-based antiferroelectric materials, two factors, namely defect dipole concentration and misfit strain, are prioritized in this section. Fig.1 simulates the stable domain structures under 0, 0.5%, 1.0%, and 1.5% tensile strains applied to PZO-based …
Herein, based on first- and second-principles calculations, we demonstrate the VOF 3 atomic wire, exfoliated from an experimentally synthesized yet underexplored 1D van der Waals (vdW) bulk, as a new 1D antiferroelectric material. The energetic, thermal, and dynamic stabilities of the nanowire are confirmed theoretically.
In this review, the current state-of-the-art as regards antiferroelectric ceramic systems, including PbZrO 3 -based, AgNbO 3 -based, and (Bi,Na)TiO 3 -based systems, are comprehensively summarized with regards to their energy storage performance.
Antiferroelectric (AFE) compounds, however, show great promise due to their atypical polarization-versus-electric field curves. Here we report our first-principles-based theoretical predictions that Bi 1-x R x FeO 3 systems (R being a lanthanide, Nd in this work) can potentially allow high energy densities (100-150 J cm -3) and efficiencies (80 ...
First Principle Understanding of Antiferroelectric Ordering in La- Doped Silver Niobate. Atul Thakre1,2, Niraj Thakre3, Giheon Choi1,2, Seungtaek Oh1,2, Jungho Ryu4*, Hwa Sung Lee1,2*. 1Department of Materials Science and Chemical Engineering, Hanyang University, Ansan, Gyeonggi 15588, Republic of Korea.
Antiferroelectric materials exhibit a unique electric-field-induced phase transition, which enables their use in energy storage, electrocaloric cooling, and nonvolatile memory applications.
The defect formation energy in a compound generally depends on the atomic chemical potentials of the system and the charge state of the defect q. For example, the formation energy of a Ag vacancy in AgNbO3, with the charge state q, EF½V. Ag;q, can be calculated using22,23) EF½V. Ag, q¼ E.
Antiferroelectrics are famous for their unique electric field-induced phase transition polarization behavior, which have a wide application in the fields of power electronics and electrical engineering. In this work, Al 2 O 3 and PbZrO 3 films are chosen as the insulator and antiferroelectric, respectively, and the multilayer thin films are …
A new NaNbO3-based composition, namely (1-x)NaNbO3-xSrSnO3, was designed with a combination of first-principles calculations and experimental characterization. Our theoretical study predicts stabilization of the antiferroelectric state over the ferroelectric state with an energy difference of 1.4 meV/f.u. when 6.25 mol % of SrSnO3 is …
Thus, it is necessary to develop new energy-storage materials with excellent energy-storage densities under moderate electric fields (MEFs). Herein, the antiferroelectric material Ag 0.9 Ca 0.05 NbO 3 (ACN) was used to modify the relaxor ferroelectric material 0.6Na 0.5 Bi 0.5 TiO 3 -0.4Sr 0.7 Bi 0.2 TiO 3 (NBT-SBT).
Herein, we provide perspectives on the development of antiferroelectrics for energy storage and conversion applications, as well as a comprehensive understanding of the structural origin of antiferroelectricity and field-induced phase transitions, followed …
An ultrahigh recoverable energy density (W rec) of 4.9 J/cm 3 with a high energy storage efficiency (η) of 92.8% are achieved at an electric field of 400 kV/cm. Moreover, the AFE ceramics possess excellent discharge energy storage properties with a high discharge energy density ( W d ) of 4.4 J/cm 3 and a large power density ( P d ) of …
However, pure NaNbO 3 cannot display electric-field-induced reversible antiferroelectric-ferroelectric (AFE-FE) phase transitions, which cannot directly be used for energy storage capacitors[82]. The continuous solid-solution system of 1-xAgNbO 3 -xNaNbO 3 was first reported decades ago [83].
The energy storage density of electrical capacitors utilizing antiferroelectric compositions Pb0.99Nb0.02[(Zr0.57Sn0.43)1−yTiy]0.98O3 as dielectrics is measured at a series of temperatures in a ...
The delicate balance between the AFE order (P phase) and the FE order (Q phase) can be attributed to the tiny energy difference between the AFE and the FE phases, estimated by first-principles calculations to be ∼1 meV/f.u. [62, 63].
One can, in principle, compute the intrinsic breakdown field using first-principles methods (although at a high computational cost) (). ... C. Richter, T. Mikolajick, U. Schroeder, Nonvolatile random access memory and energy storage based on antiferroelectric like ...
others published Recent Development of Lead-free Relaxor Ferroelectric and Antiferroelectric Thin Films as Energy Storage ... HfO2 is widely studied based on first‐principles calculation in the ...
Here, through a first-principles-based computational approach, authors find high theoretical energy densities in rare earth substituted bismuth ferrite, and propose a simple model to assess the storage properties of a general antiferroelectric material.
Antiferroelectrics with antiparallel dipoles are receiving tremendous attention for their technological importance and fundamental interest. However, intrinsic one-dimensional (1D) materials harboring antiferroelectric ordering have rarely been reported despite the promise of novel paradigms for miniaturized and high-density electronics. Herein, based …
Ultrahigh energy-storage properties with a record value of recoverable energy-storage density Wrec ∼ 9.55 J/cm3 and a high efficiency η ∼ 88% are achieved in Na0.5Bi0.5TiO3-based bulk ...
Enhanced energy storage performance, with recoverable energy density of 4.2 J cm(-3) and high thermal stability of the energy storage density (with minimal variation of ≤±5%) over 20-120 C, can ...
The ceramic displayed an impressive breakdown electric field of 300 kV/cm, a substantial recoverable energy storage density of 5.11 J/cm 3, and an impressive energy storage efficiency of 77 %. XRD and XPS analyses have validated the successful integration of BM 5 into the NN ceramics, effectively diminishing the occurrence of OV s, …
As a paradigm of engineering antiferroelectric(AFE)-ferroelectric(FE) transition on rare-Earth/titanium complex oxides by solid solution to develop advanced dielectric energy storage materials with high energy density and efficiency, the La 2-x Y x Ti 2 O 7 solid solution antiferroelectrics are theoretically investigated by first-principles …