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Keywords = lead free BaTiO3

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14 pages, 2284 KB  
Article
Composition-Driven Ultra-Low Hysteresis Electrostrictive Strain in BaTiO3-BaZrO3-Bi(Zn2/3Nb1/3)O3 Ceramics with High Thermal Stability
by Xuyi Yang, Qinyi Chen, Qilong Xiao, Qiang Yang, Wenjuan Wu, Bo Wu, Hong Tao, Junjie Li, Xing Zhang and Yi Guo
Materials 2026, 19(2), 374; https://doi.org/10.3390/ma19020374 (registering DOI) - 16 Jan 2026
Abstract
High electrostrain, excellent thermal stability, and low hysteresis are critical requirements for advanced high-precision actuators. However, simultaneously achieving these synergistic properties in lead-free ferroelectric ceramics remains a significant challenge. In this work, a targeted B-site doping strategy was employed to develop novel lead-free [...] Read more.
High electrostrain, excellent thermal stability, and low hysteresis are critical requirements for advanced high-precision actuators. However, simultaneously achieving these synergistic properties in lead-free ferroelectric ceramics remains a significant challenge. In this work, a targeted B-site doping strategy was employed to develop novel lead-free (0.99-x)BaTiO3-xBaZrO3-0.01Bi(Zn2/3Nb1/3)O3 (BT-xBZ-BZN, x = 0–0.2) ceramics. Systematic investigation identified optimal Zr4+ substitution at x = 0.1, which yielded an outstanding combination of electromechanical properties. For this optimal composition, a high unipolar electrostrain (Smax = 0.11%) was achieved at 50 kV/cm, accompanied by an ultra-low hysteresis (HS = 1.9%). Concurrently, a large electrostrictive coefficient (Q33 = 0.0405 m4/C2) was determined, demonstrating excellent thermal robustness with less than 10% variation across a broad temperature range of 30–120 °C. This superior comprehensive performance is attributed to a composition-driven evolution from a long-range ferroelectric to a pseudocubic relaxor state. In this state, the dominant electrostrictive effect, propelled by reversible dynamics of polar nanoregions (PNRs), minimizes irreversible domain switching. These findings not only present BT-xBZ-BZN (x = 0.1) as a highly promising lead-free candidate for high-precision, low-loss actuator devices, but also provide a viable design strategy for developing high-performance electrostrictive materials with synergistic large strain and superior thermal stability. Full article
(This article belongs to the Section Advanced and Functional Ceramics and Glasses)
29 pages, 5077 KB  
Article
TiO2-Engineered Lead-Free Borate Glasses: A Dual-Functional Platform for Photonic and Radiation Shielding Technologies
by Gurinder Pal Singh, Joga Singh, Abayomi Yusuf and Kulwinder Kaur
Ceramics 2025, 8(4), 152; https://doi.org/10.3390/ceramics8040152 - 11 Dec 2025
Viewed by 461
Abstract
Environmentally friendly materials with superior structural, physical, optical, and shielding capabilities are of great technological importance and are continually being investigated. In this work, novel multicomponent borate glasses with the composition xTiO2-10BaO-5Al2O3-5WO3-20Bi2O3 [...] Read more.
Environmentally friendly materials with superior structural, physical, optical, and shielding capabilities are of great technological importance and are continually being investigated. In this work, novel multicomponent borate glasses with the composition xTiO2-10BaO-5Al2O3-5WO3-20Bi2O3-(60-x) B2O3, where 0 ≤ x ≤ 15 mol%, were produced via the melt-quenching technique. The increase in TiO2 content results in a decrease in molar volume and a corresponding increase in density, indicating the formation of a compact, rigid, and mechanically hard glass network. Elastic constant measurements further confirmed this behavior. FTIR analysis confirms the transformation of BO3 to BO4 units, signifying improved network polymerization and structural stability. The prepared glasses exhibit an optical absorption edge in the visible region, demonstrating their strong ultraviolet light blocking capability. Incorporation of TiO2 leads to an increase in refractive index, optical basicity, and polarizability, and a decrease in the optical band gap and metallization number; all of these suggest enhanced electron density and polarizability of the glass matrix. Radiation shielding properties were evaluated using Phy-X/PSD software. The outcomes illustrate that the Mass Attenuation Coefficient (MAC), Effective Atomic Number (Zeff), Linear Attenuation Coefficient (LAC) increase, while Mean Free Path (MFP) and Half Value Layer (HVL) decrease with increasing TiO2 at the expense of B2O3, confirming superior gamma-ray attenuation capability. Additionally, both TiO2-doped and undoped samples show higher fast neutron removal cross sections (FNRCS) compared to several commercial glasses and concrete materials. Overall, the incorporation of TiO2 significantly enhances the optical performance and radiation-shielding efficiency of the environmentally friendly glass system, making these potential candidates for advanced photonic devices and radiation-shielding applications. Full article
(This article belongs to the Special Issue Advances in Ceramics, 3rd Edition)
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20 pages, 2955 KB  
Article
Design and Simulation of Thermally Stable Lead-Free BaHfSe3 Perovskite Solar Cells: Role of Interface Barrier Height and Temperature
by Moumita Mahanti, Sutirtha Mukherjee, Naoto Shirahata and Batu Ghosh
Eng 2025, 6(12), 345; https://doi.org/10.3390/eng6120345 - 1 Dec 2025
Viewed by 445
Abstract
Lead-free chalcogenide perovskites are emerging as promising alternatives to hybrid halide perovskites due to their superior thermal stability, non-toxicity, and strong optical absorption. In this study, the photovoltaic performance of single-junction BaHfSe3-based perovskite solar cells (PSCs) with the TCO/TiO2/BaHfSe [...] Read more.
Lead-free chalcogenide perovskites are emerging as promising alternatives to hybrid halide perovskites due to their superior thermal stability, non-toxicity, and strong optical absorption. In this study, the photovoltaic performance of single-junction BaHfSe3-based perovskite solar cells (PSCs) with the TCO/TiO2/BaHfSe3/Cu2O/Au configuration is systematically investigated using SCAPS-1D simulations. Device optimization identifies TiO2 and Cu2O as suitable ETL and HTL materials, respectively. The optimized structure—TCO/TiO2 (50 nm)/BaHfSe3 (500 nm)/Cu2O (100 nm)/Au—achieves a power conversion efficiency (PCE) of 24.47% under standard conditions. Simulation results reveal that device efficiency is influenced by absorber thickness and trap density. A detailed temperature-dependent study highlights that photovoltaic parameter efficiency is governed by the barrier alignment at the TCO/ETL interface. For lower TCO (Transparent Conducting Oxide) work functions (3.97–4.07 eV), PCE decreases monotonically with temperature, attributed to the increase in reverse saturation current resulting from a higher intrinsic carrier concentration. By contrast, higher TCO work functions (4.47–4.8 eV) yield an initial increase in efficiency with temperature, driven by reduced barrier height and favorable Fermi level shifts before efficiency declines at further elevated temperatures. These insights underscore the promise of BaHfSe3 as a lead-free, environmentally robust perovskite absorber for next-generation PSCs, and highlight the critical importance of interface engineering for achieving optimal thermal and operational performance. Full article
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19 pages, 5401 KB  
Article
High-Efficiency Lead-Free BNT-Based Relaxor Ferroelectrics via Synergistic A/B-Site Substitution for Enhanced Energy Storage and Stability
by Wenjie Zhou, Tao Du and Changbai Long
Materials 2025, 18(23), 5259; https://doi.org/10.3390/ma18235259 - 21 Nov 2025
Viewed by 461
Abstract
High-efficiency, lead-free dielectrics are sought for pulsed-power capacitors, yet pristine Bi0.5Na0.5TiO3 (BNT) suffers from large remanence, high coercivity, and limited breakdown strength. Here, we report (1 − x)Bi0.5Na0.5Ti0.97Nb0.03O3-xSr [...] Read more.
High-efficiency, lead-free dielectrics are sought for pulsed-power capacitors, yet pristine Bi0.5Na0.5TiO3 (BNT) suffers from large remanence, high coercivity, and limited breakdown strength. Here, we report (1 − x)Bi0.5Na0.5Ti0.97Nb0.03O3-xSr0.85Ba0.15Ta0.5+0.02xAl0.5−0.02xO3 (BNTNb–SBTA, x = 0–0.15) ceramics synthesized via solid-state reaction, achieving enhanced relaxor ferroelectric behavior through multi-cation substitution at A- and B-sites. X-ray diffraction confirms a pure perovskite solid solution, while scanning electron microscopy reveals grain refinement, suppressing oxygen vacancies and boosting the breakdown strength. Raman and dielectric analyses evidence strengthened relaxor behavior, accompanied by loop slimming and a systematic rise in breakdown strength. The composition x = 0.10 achieves the best trade-off, delivering Wrec = 3.357 J cm−3 and η = 90.5% at Eb = 240 kV cm−1. Robust operational stability is demonstrated with small variations of Wrec/η over 0.1–200 Hz, 25–175 °C, and 106 cycles. Pulsed tests show fast discharge (∼26 ns) with Wd = 0.826 J cm−3 at ∼90% efficiency under moderate fields. These results indicate that synergistic A/B-site disorder (Sr/Ba on A-site; Ta/Al with Nb on B-site), combined with microstructural densification, effectively minimizes Pr while elevating Eb, enabling high-efficiency energy storage under practical operating conditions. Full article
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17 pages, 6575 KB  
Article
Enhanced Energy Storage Properties in Lead-Free (1−x)(BNT–5BT)–xBCZT Ceramics: Comparative Study of Direct and Indirect Synthesis Routes
by Mauro Difeo, Leandro Ramajo and Miriam Castro
Micro 2025, 5(4), 51; https://doi.org/10.3390/micro5040051 - 16 Nov 2025
Viewed by 317
Abstract
This work presents a comparative study on the structural, microstructural, and functional properties of a novel lead-free solid solution based on (1−x)(0.95(Bi0.5Na0.5)TiO3–0.05BaTiO3)–x(0.5Ba0.7Ca0.3TiO3–0.5BaTi0.8Zr0.2O3), abbreviated [...] Read more.
This work presents a comparative study on the structural, microstructural, and functional properties of a novel lead-free solid solution based on (1−x)(0.95(Bi0.5Na0.5)TiO3–0.05BaTiO3)–x(0.5Ba0.7Ca0.3TiO3–0.5BaTi0.8Zr0.2O3), abbreviated as (1−x)(BNT–5BT)–xBCZT, with x values ranging from 0 to 0.20. Two different synthesis routes were evaluated: a direct route, where all raw materials were mixed and processed in a single step, and an indirect route, where BNT–5BT and BCZT were pre-synthesized separately and later combined. X-ray diffraction (XRD) and Raman spectroscopy confirmed the formation of single-phase perovskite structures, with progressively increasing tetragonality as x increased. Field-emission scanning electron microscopy (FE-SEM/EDS) revealed dense microstructures and secondary rod-like phases whose morphology and amount evolved with composition. Dielectric measurements indicated an enhanced relaxor behavior with increasing BCZT content, evidenced by a shift in the TF–R with frequency. The direct route resulted in more efficient dopant incorporation, leading to stronger dielectric relaxation, reduced hysteresis losses, and improved energy storage performance. The maximum energy efficiency (η) reached 43.7% for x = 0.075 via the direct route, compared to 38.0% for the same composition prepared by the indirect route. The maximum recoverable energy density (Wrec) reached 0.42 J·cm−3 for x = 0.075 via the direct route (vs. 0.40 J·cm−3 for the indirect route), with corresponding peak energy efficiencies of 43.7% and 38.0%, respectively. These findings demonstrate that (1−x)(BNT–5BT)–xBCZT ceramics synthesized via the direct route constitute a promising and scalable approach for high-efficiency, lead-free dielectric capacitors. Full article
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19 pages, 4154 KB  
Article
Energy-Storage Performance of High-Entropy (NaBiBa)0.205 (SrCa)0.1925TiO3-La(Mg0.5Zr0.5)O3 Ceramic Under Moderate Electric Fields
by Peng Shi, Heng Li, Yu Zhou, Ziying Wang and Yiming Wang
Energies 2025, 18(21), 5838; https://doi.org/10.3390/en18215838 - 5 Nov 2025
Viewed by 481
Abstract
With the global low-voltage power market expanding rapidly, lead-free dielectric ceramics exhibit excellent stability and environmental friendliness, but their strong field-dependence limits low-field applications. There is an urgent need to develop lead-free ceramic systems with outstanding energy-storage performance under modest electric fields to [...] Read more.
With the global low-voltage power market expanding rapidly, lead-free dielectric ceramics exhibit excellent stability and environmental friendliness, but their strong field-dependence limits low-field applications. There is an urgent need to develop lead-free ceramic systems with outstanding energy-storage performance under modest electric fields to meet the rapidly expanding global low-voltage power market for bulk ceramics. In this study, high-entropy ceramics (1 − x%)(NaBiBa)0.205(SrCa)0.1925TiO3-x%La(Zr0.5Mg0.5)O3 (x = 0–8) were successfully prepared. The introduced La(Zr0.5Mg0.5)O3 not only dissolves well in the high-entropy elementary lattice but also effectively improves its relaxation characteristics. High-entropy ceramics show optimal energy-storage characteristics, as indicated by an excellent energy-storage density of 4.46 J/cm3 and an energy-storage efficiency of 94.55% at 318 kV/cm. Moreover, its power density is as high as 92.20 MV/cm3, and the discharge time t0.9 is only 145 ns. Full article
(This article belongs to the Section D1: Advanced Energy Materials)
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37 pages, 3682 KB  
Review
Electrocaloric Effect on Lead-Free Ferroelectrics: Challenges in Identifying Trends and Evaluating Predictive Models
by Magdalena Krupska-Klimczak, Michał Frontczak, Zdobysław Świerczyński, Serhii Semenov, Dariusz Kajewski and Irena Jankowska-Sumara
Materials 2025, 18(19), 4444; https://doi.org/10.3390/ma18194444 - 23 Sep 2025
Viewed by 1072
Abstract
The electrocaloric effect (ECE) has become one of the most intensively studied topics in ferroelectrics, with dozens of new papers that report experimental results and provide increasingly extensive data compilations every year. However, the heterogeneity of the literature, arising from differences in compositions, [...] Read more.
The electrocaloric effect (ECE) has become one of the most intensively studied topics in ferroelectrics, with dozens of new papers that report experimental results and provide increasingly extensive data compilations every year. However, the heterogeneity of the literature, arising from differences in compositions, dopants, preparation routes, measurement protocols, and analysis methods, makes direct comparison between studies highly problematic. In this work, we focus on barium titanate (BaTiO3) as a representative lead-free ferroelectric system. BaTiO3 was chosen because, within this class of materials, it offers by far the largest body of reported ECE results, obtained under a wide range of experimental conditions, thus allowing for the most comprehensive characterization. Using this example, we explore whether meaningful patterns related to the influence of chemical substitution on the magnitude and temperature dependence of the ECE can be discerned. In addition, we critically examine why certain comparisons reported in the literature may be misleading or inherently unreliable. Finally, we discuss predictive approaches, including those employing artificial intelligence algorithms, and evaluate their applicability and limitations in modeling the electrocaloric response. Full article
(This article belongs to the Special Issue Feature Papers in Materials Physics (2nd Edition))
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32 pages, 9333 KB  
Review
BaTiO3-Based Electrocaloric Materials—Recent Progresses and Perspective
by Yi Tang, Xiang Niu, Yuleng Jiang, Junxi Cao, Junying Lai, Houzhu He, Jianpeng Chen, Xiaodong Jian and Sheng-Guo Lu
Materials 2025, 18(17), 4190; https://doi.org/10.3390/ma18174190 - 6 Sep 2025
Cited by 1 | Viewed by 1848
Abstract
BaTiO3 (BT)-based lead-free ceramics are regarded as highly promising candidates for solid-state electrocaloric (EC) cooling devices due to their large spontaneous polarizations, shiftable Curie temperatures, and environmental friendliness. This review summarizes recent progresses in the design and optimization of BT-based EC ceramics. [...] Read more.
BaTiO3 (BT)-based lead-free ceramics are regarded as highly promising candidates for solid-state electrocaloric (EC) cooling devices due to their large spontaneous polarizations, shiftable Curie temperatures, and environmental friendliness. This review summarizes recent progresses in the design and optimization of BT-based EC ceramics. Key aspects include thermodynamic principles of the EC effect (ECE); structural phase transitions; and strategies such as constructing relaxor ferroelectrics, multi-phase coexistence, etc. Finally, future research directions are proposed, including the exploration of local microstructural evolution, polarization flip mechanisms, and bridging material design and device integration. This work aims to provide insights into the development of high-performance BT-based materials for solid-state cooling devices. Full article
(This article belongs to the Section Advanced and Functional Ceramics and Glasses)
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14 pages, 6801 KB  
Article
Effect of Zr Doping on BNT–5BT Lead-Free Ceramics: Substitutional and Excess Incorporation Analysis
by Mauro Difeo, Miriam Castro and Leandro Ramajo
Micro 2025, 5(3), 35; https://doi.org/10.3390/micro5030035 - 28 Jul 2025
Viewed by 764
Abstract
This study evaluates the effect of zirconium (Zr) incorporation on the structural, microstructural, and functional properties of lead-free ceramics based on the 0.95(Bi0.5Na0.5)TiO3–0.05BaTiO3 (BNT–5BT) system. Two distinct doping strategies were investigated: (i) the substitutional incorporation of [...] Read more.
This study evaluates the effect of zirconium (Zr) incorporation on the structural, microstructural, and functional properties of lead-free ceramics based on the 0.95(Bi0.5Na0.5)TiO3–0.05BaTiO3 (BNT–5BT) system. Two distinct doping strategies were investigated: (i) the substitutional incorporation of Zr4+ at the Ti4+ site (BNT–5BT–xZrsub), and (ii) the addition of ZrO2 in excess (BNT–5BT–xZrexc). The samples were synthesized via conventional solid-state reaction and characterized using X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM/EDS), and electrical measurements, including dielectric, ferroelectric, and piezoelectric responses. Both doping routes were found to influence phase stability and electromechanical performance. Substitutional doping notably reduced the coercive field while preserving high remanent polarization, resulting in an enhanced piezoelectric coefficient (d33). These results highlight the potential of Zr-modified BNT–5BT ceramics for lead-free energy harvesting applications. Full article
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10 pages, 6849 KB  
Article
Correlation Between Microstructure and Electric Behavior of (1−x)Ba0.96Ca0.04TiO3-xBa(Mg1/3Nb2/3)O3 Ceramics Prepared via Chemical-Furnace-Assisted Combustion Synthesis
by Haiqin Ding, Jun Wang, Tongchun Qin, Lingling Cui, Guodong Jia, Guang Ji and Zhiwei Li
Coatings 2025, 15(7), 817; https://doi.org/10.3390/coatings15070817 - 12 Jul 2025
Viewed by 825
Abstract
The (1−x)Ba0.96Ca0.04TiO3-xBa(Mg1/3Nb2/3)O3 (x = 0–0.20) lead-free ceramics were prepared through the chemical-furnace-assisted combustion synthesis (abbreviated as CFACS). The phase structure, microstructure, dielectric, and piezoelectric properties were systematically investigated. Phase analysis revealed the [...] Read more.
The (1−x)Ba0.96Ca0.04TiO3-xBa(Mg1/3Nb2/3)O3 (x = 0–0.20) lead-free ceramics were prepared through the chemical-furnace-assisted combustion synthesis (abbreviated as CFACS). The phase structure, microstructure, dielectric, and piezoelectric properties were systematically investigated. Phase analysis revealed the coexistence of orthorhombic and tetragonal phases in the vicinity of x = 0.07. More importantly, the composition with x = 0.07 exhibited optimal overall electrical properties, including a high piezoelectric coefficient (d33) of 495 pC/N, the planar electromechanical coupling factor (Kp) of 41.9%, and the Curie temperature (Tc) of 123.7 °C. In addition, the average grain size was observed to progressively decrease with increasing x. Full article
(This article belongs to the Section Ceramic Coatings and Engineering Technology)
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11 pages, 3538 KB  
Article
Effect of Sm3+ Doping on Energy Storage Property and Thermal Stability of BaSnxTi1−xO3 Ceramics
by Zhengchao Qin, Zhiyi Wang, Si Gao, Hongjuan Zheng, Jin Luo, Yunfei Liu and Yinong Lyu
Crystals 2025, 15(7), 600; https://doi.org/10.3390/cryst15070600 - 26 Jun 2025
Viewed by 753
Abstract
Dielectric capacitors have become a key component for energy storage systems, owing to their exceptional power density and swift charge–discharge performance. In a series of lead-free ferroelectric ceramic materials, BaSnxTi1-xO3 (BTS) received widespread attention due to its [...] Read more.
Dielectric capacitors have become a key component for energy storage systems, owing to their exceptional power density and swift charge–discharge performance. In a series of lead-free ferroelectric ceramic materials, BaSnxTi1-xO3 (BTS) received widespread attention due to its unique properties. However, BTS ceramics with high Sn content have high efficiency (η) but low recovery energy storage density (Wrec). We incorporated the Sm element into BTS ceramics and aimed to optimize both efficiency and recoverable energy density at moderate Sn content. With the synergistic effect between Sm and Sn, the optimal composition was found at 5% Sn content with 1% low-level Sm dopants, where the energy storage density reached 0.2310 J/cm3 at 40 kV/cm. Furthermore, the thermal stability of the ceramic was investigated using temperature-dependent dielectric spectroscopy, in situ XRD, and temperature-dependent hysteresis loops. With Sm doping, the fluctuation of Wrec decreased from 18.48% to 12.01%. In general, this work not only enhances the understanding of samarium dopants but also proposes strategies for developing lead-free ferroelectric ceramics with superior energy storage properties. Full article
(This article belongs to the Section Polycrystalline Ceramics)
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16 pages, 2734 KB  
Article
Achieving a High Energy Storage Performance in Grain Engineered (Ba,Sr)(Zr,Ti)O3 Ferroelectric Films Integrated on Si
by Fuyu Lv, Chao Liu, Hongbo Cheng and Jun Ouyang
Nanomaterials 2025, 15(12), 920; https://doi.org/10.3390/nano15120920 - 13 Jun 2025
Cited by 1 | Viewed by 892
Abstract
BaTiO3-based lead-free ferroelectric films with a large recoverable energy density (Wrec) and a high energy efficiency (η) are crucial components for next-generation dielectric capacitors, which are used in energy conditioning and storage applications in integrated circuits. [...] Read more.
BaTiO3-based lead-free ferroelectric films with a large recoverable energy density (Wrec) and a high energy efficiency (η) are crucial components for next-generation dielectric capacitors, which are used in energy conditioning and storage applications in integrated circuits. In this study, grain-engineered (Ba0.95,Sr0.05)(Zr0.2,Ti0.8)O3 (BSZT) ferroelectric thick films (~500 nm) were prepared on Si substrates. These films were deposited at 350 °C, 100 °C lower than the temperature at which the LaNiO3 buffer layer was deposited on Pt/Ti. This method reduced the (001) grain population due to a weakened interface growth mode, while promoting volume growth modes that produced (110) and (111) grains with a high polarizability. As a result, these films exhibited a maximum polarization of ~88.0 μC/cm2, a large Wrec of ~203.7 J/cm3, and a high energy efficiency η of 81.2% (@ 6.4 MV/cm). The small-field dielectric constant nearly tripled as compared with that of the same BSZT/LaNiO3 heterostructure deposited at the same temperature (350 °C or 450 °C). The enhanced linear dielectric response, delayed ferroelectric polarization saturation, and increased dielectric strength due to the nano-grain size, collectively contributed to the improved energy storage performance. This work provides a novel approach for fabricating high-performance dielectric capacitors for energy storage applications. Full article
(This article belongs to the Section Nanoelectronics, Nanosensors and Devices)
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11 pages, 1806 KB  
Article
Enhanced Electrical Property and Thermal Stability in Lead-Free BNT–BT–BF Ceramics
by Kangle Zhou, Enxiang Hou, Yanfeng Qu, Yan Mu and Junjun Wang
Ceramics 2025, 8(2), 70; https://doi.org/10.3390/ceramics8020070 - 7 Jun 2025
Viewed by 1616
Abstract
The synergistic combination of outstanding electrical properties and exceptional thermal stability holds significant implications for advancing piezoelectric ceramic applications. In this work, lead-free ((1−x)(0.94Bi0.5Na0.5TiO3-0.06BaTiO3)-xBiFeO3 (x = 0.08, 0.10, 0.12)) ceramics were synthesized using a [...] Read more.
The synergistic combination of outstanding electrical properties and exceptional thermal stability holds significant implications for advancing piezoelectric ceramic applications. In this work, lead-free ((1−x)(0.94Bi0.5Na0.5TiO3-0.06BaTiO3)-xBiFeO3 (x = 0.08, 0.10, 0.12)) ceramics were synthesized using a conventional solid-state method, with systematic investigation of phase evolution, microstructural characteristics, and their coupled effects on electromechanical performance and thermal stability. Rietveld refinement analysis revealed a rhombohedral–tetragonal (R–T) phase coexistence, where the tetragonal phase fraction maximized at x = 0.10. This structural optimization enabled the simultaneous enhancement of piezoelectricity and thermal resilience. The x = 0.10 composition achieved recorded values of d33 = 132 pC/N, g33 = 26.11 × 10−3 Vm/N, and a depolarization temperature Td = 105 °C. These findings establish BiFeO3 doping as a dual-functional strategy for developing high-performance lead-free ceramics. Full article
(This article belongs to the Special Issue Advances in Electronic Ceramics, 2nd Edition)
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14 pages, 2109 KB  
Article
XGBoost-Based Modeling of Electrocaloric Property: A Bayesian Optimization in BCZT Electroceramics
by Mustafa Cagri Bayir and Ebru Mensur
Materials 2025, 18(12), 2682; https://doi.org/10.3390/ma18122682 - 6 Jun 2025
Cited by 1 | Viewed by 841
Abstract
Electrocaloric materials, which exhibit adiabatic temperature change under an applied electric field, are promising for solid-state cooling technologies. In this study, the electrocaloric response of lead-free BaxCa1−xZryTi1−yO3 (BCZT) ceramics was modeled to investigate the [...] Read more.
Electrocaloric materials, which exhibit adiabatic temperature change under an applied electric field, are promising for solid-state cooling technologies. In this study, the electrocaloric response of lead-free BaxCa1−xZryTi1−yO3 (BCZT) ceramics was modeled to investigate the effects of composition, processing, and measurement conditions on performance. A high-accuracy XGBoost regression model (R2 = 0.99, MAE = 0.02 °C) was developed using a dataset of 2188 literature-derived data points to predict and design the electrocaloric response of BCZT ceramics. The feature space incorporated compositional ratios, processing parameters, measurement settings, and atomic-level Magpie descriptors, along with Curie temperature to account for phase-transition behavior. Feature importance analysis revealed that electric field, measurement temperature, and proximity to the Curie point are the most critical factors influencing ΔTEC. Bayesian optimization was applied to navigate the design space and identify performance maxima under unconstrained and realistic constraints, offering valuable insights into the nonlinear interactions governing electrocaloric performance. Under room temperature and moderate-field conditions (24 °C, 40 kV/cm), the optimized ΔTEC achieved a value of 1.03 °C for Ba0.85Ca0.15Zr0.40Ti0.60, to be processed at 1090 °C for 3 h during calcination, 1300 °C for 2 h during sintering. By integrating experimental insight with machine learning and optimization, this study offers a refined, interpretable framework for accelerating the design of high-performance electrocaloric ceramics while reducing the experimental workload. Full article
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20 pages, 5396 KB  
Article
Reducing Sintering Temperature While Optimizing Electrical Properties of BCZT-Based Lead-Free Ceramics by Adding MnO2 as Sintering Aid
by Xinlin Yang, Bijun Fang, Shuai Zhang, Xiaolong Lu and Jianning Ding
Materials 2025, 18(8), 1888; https://doi.org/10.3390/ma18081888 - 21 Apr 2025
Cited by 1 | Viewed by 1066
Abstract
In order to reduce the sintering temperature, MnO2 was used as a sintering aid to prepare [(Ba0.85Ca0.15)0.999(Dy0.5Tb0.5)0.001](Zr0.1Ti0.9)O3-x mol% MnO2 (BCDTZT-x mol% MnO2 [...] Read more.
In order to reduce the sintering temperature, MnO2 was used as a sintering aid to prepare [(Ba0.85Ca0.15)0.999(Dy0.5Tb0.5)0.001](Zr0.1Ti0.9)O3-x mol% MnO2 (BCDTZT-x mol% MnO2, x = 0.05, 0.2, 0.4, 0.6, 0.8, 1, 1.5, 3) lead-free piezoelectric ceramics in which the effects of the MnO2 doping amount and sintering temperature on the phase structure, sintering behavior, and electrical properties of the BCDTZT-x mol% MnO2 ceramics were systematically analyzed. All ceramics have a single perovskite structure and coexist in multiple phases. The optimal sintering temperature was reduced from 1515 °C to 1425 °C, and the density of all ceramics was increased as compared with the undoped ceramic, reaching a maximum of 5.38 g/cm3 at x = 0.8 mol%. An appropriate MnO2 doping amount of 0.4 mol% could effectively suppress oxygen vacancies and improve electrical properties, resulting in the best comprehensive performance of the ceramics, with a dielectric constant maximum of 12,817, a high piezoelectric constant of 330 pC/N, and good strain value (Smax = 0.118%) and low strain hysteresis (Hys = 2.66%). The calculation of activation energy indicated that the high-temperature conductivity was dominated by oxygen vacancies in all ceramics. The results showed that the appropriate introduction of MnO2 as a sintering aid could improve the performance of BCZT-based ceramics while reducing the sintering temperature, presenting high practical application value in the fields of low electric field sensors and actuators. Full article
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