Journal of Materiomics最新文献_第4页

Remarkable flexibility and curvature-tunable thermoelectric properties in transparent freestanding single-crystalline CdO membranes 透明独立单晶CdO膜的显著柔韧性和曲率可调热电特性

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-03-01 Epub Date: 2025-12-17 DOI: 10.1016/j.jmat.2025.101153

Xingkun Ning, Yongmao Ran, Jiaying Han, Linjie Gao, Shufang Wang

Transparent thermoelectric CdO thin films exhibit critical flexibility and thermoelectric performance that require focused research to advance flexible transparent self-powered devices. Here, we demonstrate the superior flexibility of freestanding single-crystalline CdO membranes. These membranes achieve a notable room-temperature power factor of 1.48 μW·cm⁻¹·K⁻² and exhibit superior optical transmittance exceeding 94% in the 550–800 nm range. Crucially, freestanding CdO exhibits exceptional mechanical robustness, retaining >90% electrical conductivity after 1000 bending cycles (radius: 11.5 mm). Microstructure analyses confirm polycrystalline CdO films suffer from grain boundary cracking under bending due to stress concentration, but single-crystal CdO membranes—without grain boundaries to concentrate stress—exhibit better flexibility and resistance to cracking. Furthermore, curvature-induced strain boosts the power factor by 12.8%, providing a curvature-controlled strain engineering strategy to optimize flexible thermoelectric performance. This work establishes freestanding CdO as a highly efficient and flexible thermoelectric material and suggests a fundamental strategy for designing robust smart materials for transparent, self-powered flexible electronics.

透明热电CdO薄膜具有关键的灵活性和热电性能，需要重点研究以推进柔性透明自供电器件。在这里，我们证明了独立的单晶CdO膜的优越的灵活性。该膜室温功率因数为1.48 μW·cm−1·K−2，在550 ~ 800 nm范围内的透光率超过94%。至关重要的是，独立式CdO具有出色的机械坚固性，在1000次弯曲循环（半径：11.5 mm）后仍保持90%的导电性。微观结构分析证实，多晶CdO膜在弯曲作用下由于应力集中导致晶界开裂，而单晶CdO膜没有晶界集中应力，具有更好的柔韧性和抗裂性。此外，曲率诱导应变可使功率因数提高12.8%，为优化柔性热电性能提供了曲率控制应变工程策略。这项工作建立了独立的CdO作为一种高效和灵活的热电材料，并提出了一种为透明、自供电的柔性电子产品设计坚固的智能材料的基本策略。

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引用次数: 0

Harnessing energetic charge carriers in plasmonic Au: towards multi-electron CO2-to-C2+ photoreduction 利用等离子体Au中的高能载流子：实现多电子co2到c2 +的光还原

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-03-01 Epub Date: 2026-01-30 DOI: 10.1016/j.jmat.2026.101181

Yanrui Li , Ruyu Guo , Tingting Kong , Shaohua Shen

引用次数: 0

Thermal anisotropy in chopped Cf reinforced SiC composites by laser printing and polymer infiltration-pyrolysis techniques 激光打印和聚合物渗透热解技术制备短切Cf增强SiC复合材料的热各向异性

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-03-01 Epub Date: 2025-08-22 DOI: 10.1016/j.jmat.2025.101124

Huisheng Tian , Yan Zhou , Jie Yin , Buhao Zhang , Li Wang , Jiayi Geng , Zhengren Huang

Directional thermal transport materials enable anisotropic heat flow, thereby enhancing the efficiency of thermal management systems. These materials have found broad applications in aerospace, electronics, and automotive industries. Silicon carbide (SiC) based composites, with their exceptional properties including high modulus, thermal stability, and superior thermal conductivity, serve as an ideal structural material. Strategic manipulation over microstructure and composition enables directional thermal management, expanding applicability in thermal management and achieving structural-functional integration. By combining selective laser printing with precursor impregnation and pyrolysis (PIP), this work presents an innovative approach to fabricating thermally anisotropic C_f/SiC composites that integrate both structural and functional properties. The optimized composite (20% (in volume) chopped C_f) exhibited high fiber alignment (f_p = 0.7677) and pronounced thermal anisotropy, with thermal conductivities of 70.14 W/(m·K) perpendicular and 38.87 W/(m·K) parallel to the printing plane (anisotropy ratio: 1.8). This directional heat transport, enabled by fiber orientation and phonon scattering control, is critical for advanced thermal management. The composite also maintained good mechanical strength, exhibiting a flexural strength of (150.4 ± 9.8) MPa parallel to the printing plane, finalizing in a structural and functional integration.

定向热传输材料可以实现各向异性热流，从而提高热管理系统的效率。这些材料在航空航天、电子和汽车工业中得到了广泛的应用。碳化硅（SiC）基复合材料具有优异的性能，包括高模量、热稳定性和优越的导热性，是理想的结构材料。通过对微观结构和成分的策略性控制，实现了定向热管理，扩大了热管理的适用性，实现了结构功能的整合。通过将选择性激光打印与前驱体浸没和热解（PIP）相结合，本研究提出了一种创新的方法来制造具有结构和功能特性的热各向异性Cf/SiC复合材料。优化后的复合材料（体积比例为20%）具有较高的纤维取向性（fp = 0.7677）和明显的热各向异性，在印刷平面垂直和平行方向的导热系数分别为70.14 W/（m·K）和38.87 W/(m·K)（各向异性比为1.8）。这种通过光纤定向和声子散射控制实现的定向热传输对于先进的热管理至关重要。该复合材料还保持了良好的机械强度，平行于打印平面的弯曲强度为（150.4±9.8）MPa，最终实现了结构和功能的一体化。

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引用次数: 0

From high-entropy ceramics to compositionally complex ceramics and beyond 从高熵陶瓷到成分复杂的陶瓷等等

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-03-01 Epub Date: 2026-01-14 DOI: 10.1016/j.jmat.2026.101173

Jian Luo

Over the past decade, the field of high-entropy ceramics (HECs) has expanded rapidly to encompass a broad range of oxides, borides, silicides, and other ceramic solid solutions. In 2020, we proposed extending HECs to compositionally complex ceramics (CCCs), where non-equimolar compositions and the presence of long- or short-range order, although reducing configurational entropy, create new opportunities to tailor and enhance properties, often surpassing those of higher-entropy counterparts. Along these lines, several fundamental scientific questions arise. Is the entropy in HECs truly high? Is maximizing entropy always desirable? In this perspective article, I revisit key concepts and terminologies and highlight emerging directions, including dual-phase CCCs, ultrahigh-entropy phases, and novel processing routes such as ultrafast reactive sintering. I propose that exploring compositional complexity across vast non-equimolar spaces, together with exploiting correlated disorder (coupled chemical and structural short-range order), represents a transformative strategy for designing ceramics with superior performance.

在过去的十年中，高熵陶瓷（HECs）领域迅速发展，涵盖了广泛的氧化物、硼化物、硅化物和其他陶瓷固溶体。在2020年，我们提出将HECs扩展到组成复杂陶瓷（CCCs），其中非等摩尔成分和长或短程有序的存在虽然降低了构型熵，但创造了新的机会来定制和增强性能，通常超过那些高熵的对应物。沿着这些思路，出现了几个基本的科学问题。hec中的熵真的很高吗？熵的最大化总是可取的吗？在这篇展望性的文章中，我回顾了关键的概念和术语，并强调了新兴的方向，包括双相CCCs，超高熵相和新的加工路线，如超快反应烧结。我建议在广阔的非等摩尔空间中探索成分的复杂性，以及开发相关无序（耦合化学和结构的短程有序），代表了设计具有卓越性能的陶瓷的变革策略。

引用次数: 0

Inverse design of high-entropy rare-earth monosilicates with superior CMAS corrosion resistance 具有优异CMAS耐蚀性的高熵稀土单硅酸盐的反设计

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-03-01 Epub Date: 2025-08-14 DOI: 10.1016/j.jmat.2025.101123

Hao Bai , Peng Wei , Lei Zhuang, Hui Wang, Hulei Yu, Yanhui Chu

The exploitation of high-entropy rare-earth monosilicates (HEREMSs) with enhanced calcium-magnesium-aluminum-silicate (CMAS) corrosion resistance is vital for their potential applications as environmental barrier coatings (EBCs). Here, we present an inverse design strategy to explore HEREMSs with superior CMAS corrosion resistance. By high-throughput synthesis and dissolution experiments of equimolar 1–12-cation apatite powders at 1400 °C, four optimized rare-earth elements, Lu, Yb, Er, and Nd, are determined to compositionally screen preferable high-entropy apatite with the lowest dissolution rate in CMAS melt, ultimately facilitating the inversely design of novel (Nd_2/15Er_3/5Yb_2/15Lu_2/15)₂SiO₅ (HEREMS-1). Further CMAS corrosion experiments have verified its superior CMAS corrosion resistance at temperatures up to 1500 °C, exceeding the performance of previously reported EBC materials. Our work paves an alternative way for developing HEREMSs with exceptional CMAS corrosion resistance, making them highly suitable for future EBC applications.

开发具有增强钙镁铝硅酸盐（CMAS）耐腐蚀性的高熵稀土单硅酸盐（HEREMSs）对于其作为环境屏障涂层（EBCs）的潜在应用至关重要。在这里，我们提出了一种逆向设计策略，以探索具有优异CMAS耐腐蚀性的herems。通过对等摩尔1 - 12阳离子磷灰石粉体在1400℃下的高通量合成和溶解实验，确定了4种稀土元素Lu、Yb、Er和Nd，优选出在CMAS熔体中溶解速率最低的高熵磷灰石，最终实现了新型（Nd2/15Er3/5Yb2/15Lu2/15）2SiO5 （herem -1）的反设计。进一步的CMAS腐蚀实验验证了其在高达1500°C的温度下具有优越的CMAS耐腐蚀性，超过了先前报道的EBC材料的性能。我们的工作为开发具有卓越CMAS耐腐蚀性的herems铺平了另一种方式，使其非常适合未来的EBC应用。

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引用次数: 0

Highly oxygen/nitrogen doped enclosed carbon nanotubes as anode materials for advanced Li+/Na+/K+ hybrid ion batteries 高氧/氮掺杂封闭碳纳米管作为先进Li+/Na+/K+混合离子电池的负极材料

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-03-01 Epub Date: 2025-11-06 DOI: 10.1016/j.jmat.2025.101143

Shaoyang Dai , Xibing Wu , Dianhui Wang, Qianhui Fu, Peng Liu, Feng Wang, Daosheng Liu, Wenping Liu, Jianqiu Deng

The utilization of hybrid ion batteries (HIBs) effectively reduces the consumption of scarce Li resources and harnesses the synergistic effect of mixed ions to achieve performance comparable to that of lithium-ion batteries. However, there is currently a lack of anode materials that possess both high safety and excellent performance for HIBs. Herein, we present a novel structure of enclosed hard carbon nanotubes (HCNTs) doped with high levels of nitrogen and oxygen as anodes for HIBs. When utilized in LiNaK HIBs, they exhibit superior reversible capacity (440.1 mA⋅h·g⁻¹ at 100 mA/g) and enhanced rate performance (327.7 mA⋅h·g⁻¹ at 1 A/g) compared to single alkali metal ion batteries. These improvements can be attributed to the design of a one-dimensional structure that features highly doped hard carbon, which significantly enhances carrier transport. Furthermore, first-principles calculations reveal the synergistic effect of hybrid ions in nitrogen-doped hard carbon nanotubes, enhancing the ion adsorption stability in the carbon layer. This study introduces a substantial anode material for HIBs and expands the scope from binary to ternary HIB systems.

混合离子电池（HIBs）的利用有效降低了稀缺锂资源的消耗，并利用混合离子的协同效应，实现了与锂离子电池相当的性能。然而，目前缺乏既具有高安全性又具有优异性能的hib负极材料。在此，我们提出了一种新型结构的封闭硬碳纳米管（HCNTs），掺杂高水平的氮和氧作为HIBs的阳极。与单一碱金属离子电池相比，在Li-Na-K HIBs中，它们具有更好的可逆容量（100 mA/g时为440.1 mA·h·g - 1）和更高的倍率性能（1 A/g时为327.7 mA·h·g - 1）。这些改进可归因于设计了具有高掺杂硬碳的一维结构，这大大增强了载流子输运。此外，第一性原理计算揭示了杂化离子在氮掺杂硬碳纳米管中的协同作用，增强了离子在碳层中的吸附稳定性。本研究为HIB系统引入了一种重要的负极材料，并将其应用范围从二元HIB系统扩展到三元HIB系统。

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引用次数: 0

3D porous carbon gel composite with transition metal particles for anchoring-diffusion-conversion of polysulfides for lithium–sulfur batteries 三维多孔碳凝胶复合材料与过渡金属颗粒锚定-扩散转化锂硫电池用多硫化物

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-03-01 Epub Date: 2025-12-26 DOI: 10.1016/j.jmat.2025.101156

Ying Wang , Bo Yang , Hanqing Yu , Dingxin Shuai , Xiuqiong Hu , Ying Zhang , Jiyue Hou , Yiyong Zhang

Lithium-sulfur batteries (LSBs) exhibit high energy density and high theoretical specific capacity, approximately one order of magnitude higher than traditional lithium-ion batteries. However, the shuttling effect of lithium polysulfides (LiPSs) generated during the charge-discharge process severely compromises battery performance and hinders commercialization. In this paper, a 3D porous carbon gel sulfur host, M@rGO–PCG (M = Ni, Co), composed of transition metal particles and redox graphene, was fabricated through gelation and freeze-drying techniques. This material enhances the conductivity of the cathode, buffers the volume expansion of the electrode, and further accelerates the catalytic conversion of LiPSs. The assembled Ni@rGO–PCG/S and Co@rGO–PCG/S batteries deliver initial discharge specific capacities of 1390.0 mA⋅h⋅g⁻¹ and 1603.6 mA⋅h⋅g⁻¹ at a current rate of 0.1C, respectively. The findings provide valuable insights into the synergistic suppression of the shuttling effect through multiple functions.

锂硫电池（LSBs）具有高能量密度和高理论比容量，比传统锂离子电池高出约一个数量级。然而，在充放电过程中产生的多硫化锂（LiPSs）的穿梭效应严重影响了电池的性能，阻碍了商业化。以过渡金属颗粒和氧化还原石墨烯为原料，通过凝胶化和冷冻干燥法制备了三维多孔碳凝胶硫载体M@rGO -PCG （M=Ni, Co）。该材料增强了阴极的导电性，缓冲了电极的体积膨胀，进一步加速了LiPSs的催化转化。组装的Ni@rGO -PCG /S和Co@rGO -PCG /S电池在0.1 C电流下的初始放电比容量分别为1390.0 mA·h·g−1和1603.6 mA·h·g−1。这些发现为通过多种功能协同抑制穿梭效应提供了有价值的见解。

{"title":"3D porous carbon gel composite with transition metal particles for anchoring-diffusion-conversion of polysulfides for lithium–sulfur batteries","authors":"Ying Wang , Bo Yang , Hanqing Yu , Dingxin Shuai , Xiuqiong Hu , Ying Zhang , Jiyue Hou , Yiyong Zhang","doi":"10.1016/j.jmat.2025.101156","DOIUrl":"10.1016/j.jmat.2025.101156","url":null,"abstract":"<div><div>Lithium-sulfur batteries (LSBs) exhibit high energy density and high theoretical specific capacity, approximately one order of magnitude higher than traditional lithium-ion batteries. However, the shuttling effect of lithium polysulfides (LiPSs) generated during the charge-discharge process severely compromises battery performance and hinders commercialization. In this paper, a 3D porous carbon gel sulfur host, M@rGO–PCG (M = Ni, Co), composed of transition metal particles and redox graphene, was fabricated through gelation and freeze-drying techniques. This material enhances the conductivity of the cathode, buffers the volume expansion of the electrode, and further accelerates the catalytic conversion of LiPSs. The assembled Ni@rGO–PCG/S and Co@rGO–PCG/S batteries deliver initial discharge specific capacities of 1390.0 mA⋅h⋅g−1 and 1603.6 mA⋅h⋅g−1 at a current rate of 0.1C, respectively. The findings provide valuable insights into the synergistic suppression of the shuttling effect through multiple functions.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 2","pages":"Article 101156"},"PeriodicalIF":9.6,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145844898","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Boosting energy storage in lead-free NaNbO3-based antiferroelectric ceramics through lamellar nanodomain engineering 利用层状纳米畴工程提高无铅纳米bo3基反铁电陶瓷的储能性能

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-03-01 Epub Date: 2025-12-15 DOI: 10.1016/j.jmat.2025.101154

Xuewen Jiang , Wei Wang , Aiwen Xie , Ziyi Tang , Ao Tian , Xin Gao , Xiaokuo Er , Liqiang Liu , Ruzhong Zuo

The development of high-performance lead-free energy storage capacitors is crucial for sustainable technologies, yet hindered in NaNbO₃-based antiferroelectric (AFE) ceramics because of significant polarization hysteresis from field-induced AFE-ferroelectric (FE) phase transitions. This hysteresis fundamentally limits the simultaneous optimization of recoverable energy density (W_rec) and efficiency (η). Herein, we demonstrate that lamellar nanodomain engineering via compositional design in a (0.87–x)NaNbO₃–0.13Bi_0.5Na_0.5TiO₃–xBi(Mg_0.5Ti_0.5)O₃ system effectively overcomes this bottleneck. The optimized composition (x = 0.05) delivers exceptional energy storage performance with a W_rec of ∼8.2 J/cm³, a η of ∼88.9%, and a power density of ∼207 MW/cm³. Analysis on multiscale structure evolution reveals that this compositional tuning induces a phase transformation from AFE P to AFE R symmetry, accompanied by an enhanced local structural disorder. Critically, the formation of lamellar AFE R-phase nanodomains with width ranging from 2 nm to 6 nm drives a quasi-linear polarization response with minimal hysteresis. Concurrently, the refined grain size improves the ceramic resistivity, substantially enhancing dielectric breakdown strength. These synergistic effects collectively yield outstanding energy storage properties, demonstrating that engineering lamellar AFE R-phase nanodomains is an efficient strategy to optimize overall energy storage performance of NaNbO₃-based materials.

高性能无铅储能电容器的发展对可持续发展技术至关重要，但由于场致反铁电（FE）相变产生的显著极化滞后，阻碍了基于nanbo3的反铁电（AFE）陶瓷的发展。这种滞后从根本上限制了可回收能量密度（Wrec）和效率（η）的同时优化。在此，我们证明了通过组成设计在（0.87-x） NaNbO3-0.13Bi0.5Na0.5TiO3-xBi (Mg0.5Ti0.5)O3体系中的层状纳米畴工程有效地克服了这一瓶颈。优化后的组合物（x = 0.05）具有优异的储能性能，Wrec为~ 8.2 J/cm3， η为~ 88.9%，功率密度为~ 207 MW/cm3。多尺度结构演化分析表明，这种成分调谐引起了从AFE P对称性到AFE R对称性的相变，并伴随着局部结构无序性的增强。关键的是，在2-6 nm宽度范围内的层状AFE r相纳米畴的形成驱动了具有最小滞后的准线性极化响应。同时，细化的晶粒尺寸提高了陶瓷的电阻率，大大提高了介质击穿强度。这些协同效应共同产生了出色的储能性能，表明工程层状AFE r相纳米畴是优化nanbo3基材料整体储能性能的有效策略。

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引用次数: 0

Low-loss (Sr,Ce)TiO3Sr2CeO4B2O3 ceramics composite featuring balanced microwave dielectric properties for miniaturized wireless communication applications 具有平衡微波介电性能的低损耗（Sr,Ce） TiO3-Sr2CeO4-B2O3陶瓷复合材料，用于小型化无线通信应用

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-03-01 Epub Date: 2025-12-27 DOI: 10.1016/j.jmat.2025.101157

Tauqeer Ahmad , Wen Lei , Burhan Ullah , Wen-zhong Lu

A series of (Sr_0.4Ce_0.4)TiO₃ + 4% (in mass) Sr₂CeO₄ + x% B₂O₃ (SCTO + 4% SCO + x% B₂O₃ for 1≤ x ≤ 5) composites were synthesized via solid-state reaction to investigate the effects of Sr₂CeO₄ and B₂O₃ additives on their structural evolution and microwave dielectric properties. X-ray diffraction (XRD) and Rietveld refinement confirmed the dominant orthorhombic phase (O-phase), with SCO as a secondary phase, indicating a chemically stable composite system. HRTEM and SAED analyses further confirmed the formation of the O-phase through direct observation of the superlattice reflections. Microstructural evolution demonstrated B₂O₃-assisted liquid-phase sintering, reducing porosity (0.017 → 0.006) and increasing grain size (3.34 → 6.01 μm) with increasing x% (in mass). Raman spectroscopy verified octahedral tilting and CeO stretching, while B₂O₃ incorporation modified the TiO₆ network via BO₃/BO₄ interactions. The ε_r decreased from 113 (SCTO) to 27 at x = 5%, while τ_f improved from +213 to +12 × 10⁻⁶/°C. The reduction in ε_r arises from a complex interplay of internal factors (ionic polarizability) and external factors (porosity, and density), whereas the variation in τ_f is governed by compensating effects from Sr₂CeO₄ and B₂O₃. Optimal microwave performance was achieved at x = 5%, with Q×f = 43,603 GHz, ε_r = 27, and τ_f of +12 × 10⁻⁶/°C. The study demonstrates that SCO and B₂O₃ act as effective modifiers, enhancing densification and dielectric properties in SCTO-based microwave ceramics.

通过固相反应合成了一系列（Sr0.4Ce0.4）TiO3 + 4%（质量）Sr2CeO4 + x% B2O3 （SCTO + 4% SCO + x% B2O3(1≤x≤5)）复合材料，研究了Sr2CeO4和B2O3添加剂对复合材料结构演变和微波介电性能的影响。x射线衍射（XRD）和Rietveld细化证实了该复合体系的主要正交相（o相），SCO为次级相，表明该复合体系化学稳定。HRTEM和SAED分析通过直接观察超晶格反射进一步证实了o相的形成。微观组织演化表现为b2o3辅助液相烧结，孔隙率随质量增加x%而减小（0.017→0.006），晶粒尺寸随质量增加而增大（3.34→6.01 μm）。拉曼光谱证实了八面体倾斜和CeO拉伸，而B2O3的加入通过BO3/BO4相互作用修饰了TiO6网络。当x = 5%时，εr从113 （SCTO）下降到27，τf从+213提高到+12 × 10−6/°C。εr的减小是由内部因素（离子极化率）和外部因素（孔隙率和密度）的复杂相互作用引起的，而τf的变化是由Sr2CeO4和B2O3的补偿效应控制的。当x = 5%, Q×f = 43,603 GHz, εr = 27, τf = +12 × 10−6/°C时，微波性能最佳。研究表明，SCO和B2O3作为有效的改性剂，提高了scto基微波陶瓷的致密性和介电性能。

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引用次数: 0

One-step sintering enabled structural stability and defect suppression even in Fe-off-stoichiometric BiFeO3BaTiO3 piezoceramics 一步烧结即使在fe -off-化学计量BiFeO3-BaTiO3压电陶瓷中也能实现结构稳定性和缺陷抑制

IF 9.6 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Journal of Materiomics

Pub Date : 2026-03-01 Epub Date: 2025-12-30 DOI: 10.1016/j.jmat.2025.101158

Shiyuan Zhang, Xingyuan Qi, Jinhao Hu, Xianxin Zhang, Mengping Xue, Bo-Ping Zhang

BiFeO₃BaTiO₃ lead-free piezoelectric ceramics exhibit superior piezoelectric properties while preserving a high Curie temperature. However, given the inherent Gibbs free energy law of BiFeO₃, the system is difficult to avoid heterogeneous phases such as Bi₂₅FeO₃₉ and/or Bi₂Fe₄O₉, which are accompanied by the volatilization of Bi³⁺ and the change of Fe³⁺, resulting in low insulating properties and high dielectric loss. These factors hinder the enhancement of polarizability and the overall performance at elevated temperatures and electric field conditions. The present study focuses on a highly leaky 0.75BiFeO₃–0.25BaTiO₃ ceramic, in which the Fe content is deliberately designed to be both severely excessive and deficient, and is prepared using a one-step low-temperature sintering process. It is noteworthy that the structural stability and defect suppression, even in this challenging system, are achieved via the one-step low-temperature sintering. This samples exhibit a distinctive self-tuning property and an excellent stability over a wide compositional range. First-principles density functional theory calculations and XPS analysis have for the first time confirmed that suppressing oxygen vacancies and Fe³⁺ valence states can reduce the concentration and mobility of hole carriers, thereby effectively reducing leakage current, with the mechanism shifting from ohmic conduction to space-charge-limited conduction. Even under the extreme compositional conditions of x = ± 5 and a low sintering temperature, the piezoelectric coefficients d₃₃ reach 132 pC/N and 110 pC/N, respectively. These are significantly higher than those of the most stoichiometric 0.75BiFeO₃–0.25BaTiO₃ counterparts, setting a new performance record.

BiFeO3-BaTiO3无铅压电陶瓷在保持高居里温度的同时表现出优异的压电性能。然而，由于BiFeO3固有的吉布斯自由能定律，该体系很难避免Bi25FeO39和/或Bi2Fe4O9等非均相，这些非均相伴随着Bi3+的挥发和Fe3+的变化，导致绝缘性能低，介质损耗高。这些因素阻碍了极化率的提高以及在高温和电场条件下的整体性能。本研究以高漏性0.75BiFeO3-0.25BaTiO3陶瓷为研究对象，采用一步低温烧结工艺制备高漏性0.75BiFeO3-0.25BaTiO3陶瓷。值得注意的是，即使在这种具有挑战性的系统中，也可以通过一步低温烧结实现结构稳定性和缺陷抑制。该样品具有独特的自调谐特性，并且在广泛的组成范围内具有优异的稳定性。第一原理密度泛函理论计算和XPS分析首次证实，抑制氧空位和Fe3+价态可以降低空穴载流子的浓度和迁移率，从而有效降低漏电流，机制由欧姆传导转变为空间电荷限制传导。即使在x =±5的极端成分条件和较低的烧结温度下，压电系数d33也分别达到132 pC/N和110 pC/N。这些性能显著高于最具化学计量学意义的0.75BiFeO3-0.25BaTiO3，创造了新的性能记录。

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引用次数: 0