first principles of antiferroelectric energy storage
Bandgap engineering and antiferroelectric stability of tantalum doped silver niobate ceramics from first-principles …
Ceramics capacitors, especially featuring antiferroelectric (AFE) structure, are widely used in pulsed power electronic systems due to distinctive high-power density and external field stability. Lead-free AFE material AgNbO 3 has seized substantial research attention owing to its unique temperature driven multi-level phase transitions, and many …
Designing lead-free antiferroelectrics for energy storage
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 ...
Design of Lead-Free Antiferroelectric (1 − x)NaNbO 3 −xSrSnO 3 Compositions Guided by First-Principles Calculations …
Antiferroelectric materials exhibit a unique electric-field-induced phase transition, which enables their use in energy storage, electrocaloric cooling, and nonvolatile memory applications.
Designing lead-free antiferroelectrics for energy storage
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 …
Designing lead-free antiferroelectrics for energy storage
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 (80-88%) for electric fields that may be within …
Ferroelectric/paraelectric superlattices for energy storage
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 ...
Intrinsic Atomic-Scale Antiferroelectric VOF 3 Nanowire with Ultrahigh-Energy Storage …
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.
High energy density in Ag0.5Na0.5(Nb1-xTax)O3 antiferroelectric …
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].
Outstanding Energy Storage Performance of NBT-Based Ceramics under Moderate Electric Field Achieved via Antiferroelectric …
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).
Role of doping and defect quenching in antiferroelectric NaNbO3 from first principles …
DOI: 10.1103/physrevb.106.134101 Corpus ID: 252743371 Role of doping and defect quenching in antiferroelectric NaNbO3 from first principles @article{Villa2022RoleOD, title={Role of doping and defect quenching in antiferroelectric NaNbO3 from first principles ...
Self-polarization and energy storage performance in antiferroelectric-insulator multilayer thin films …
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 …
[PDF] Intrinsic Atomic-Scale Antiferroelectric VOF3 Nanowire with Ultrahigh-Energy Storage …
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 …
Antiferroelectricity of NaNbO3: Single‐crystal experimental study and first‐principles …
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 …
Energy storage density and charge–discharge properties of PbHf1−xSnxO3 antiferroelectric …
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, …
Low-temperature sintering of PLSZT-based antiferroelectric ceramics in reducing atmosphere for energy storage …
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 …
Antiferroelectrics for Energy Storage Applications: a Review
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.
NaNbO3-based antiferroelectric multilayer ceramic capacitors for energy storage …
In our case n is 4, as our MLCC samples have 5 ceramic layers.Δ T is the difference between 900 C, which was used as high-temperature relaxed state, and 25 C used as room temperature. Therefore, using Eqs. (3) and (4) and values from Table 1, the tensile stress in the ceramic layers is calculated to be 25 MPa, while the compressive …
Lead-free antiferroelectric AgNbO 3 : Phase transitions and structure engineering for dielectric energy storage …
Practically, antiferroelectrics present a unique opportunity in the energy storage application due to the electric field-induced phase transition. 14 For dielectric capacitors, the recoverable energy storage density can be calculated by integrating the discharge part of the P–E hysteresis loop with respect to the Y axis, while the energy …
Design of Lead-Free Antiferroelectric (1 – x)NaNbO3–xSrSnO3 …
The SrSnO 3-modified compositions exhibited well-defined double polarization loops and an eight times higher energy storage density as compared to unmodified NaNbO 3. Our results indicate that this first-principles calculations based …
Recent Development of Lead-free Relaxor Ferroelectric and Antiferroelectric Thin Films as Energy Storage …
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 ...
First-Principles Study of Point Defect Formation in AgNbO {3}
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.
Effect of annealing atmosphere on the energy storage performance of antiferroelectric …
Antiferroelectric materials, which exhibit high saturation polarization intensity with small residual polarization intensity, are considered as the most promising dielectric energy storage materials. The energy storage properties of ceramics are known to be highly dependent on the annealing atmosphere employed in their preparation. In …
Perspective on antiferroelectrics for energy storage and …
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 …
Design of Lead-Free Antiferroelectric (1 – x)NaNbO3–xSrSnO3 Compositions Guided by First-Principles …
Antiferroelectric materials exhibit a unique electric-field-induced phase transition, which enables their use in energy storage, electrocaloric cooling, and nonvolatile memory applications. However, in many prototype antiferroelectrics this transition is irreversible, which prevents their implementation. In this work, we demonstrate a general …
Effect of Residual Stress on Energy Storage Property in PbZrO3 Antiferroelectric Thin Films With Different …
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 ...
Unveiling the ferrielectric nature of PbZrO3-based antiferroelectric materials | Nature …
K. et al. An unconventional transient phase with cycloidal order of polarization in energy-storage antiferroelectric ... 3, and PbZrO 3: a comparative first-principles study . Phys. Rev. B 60, 836 ...
Doped Silver Niobate First Principle Understanding of Antiferroelectric …
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.
Design of lead-free antiferroelectric (1 − X)NaNbO>3>−xSrSnO>3> compositions guided by first-principles …
Our results indicate that this first-principles calculations based approach is of great potential for the design of new antiferroelectric compositions. AB - Antiferroelectric materials exhibit a unique electric-field-induced phase transition, which enables their use in energy storage, electrocaloric cooling, and nonvolatile memory applications.
Ultra-high energy storage density and scale-up of antiferroelectric …
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 …
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