Journal of Materiomics最新文献

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Polarization rotation in high-performance KNN-based piezoceramics revealed by an in situ electric field pair distribution function 用原位电场对分布函数揭示高性能knn基压电陶瓷的极化旋转
IF 9.4 1区 材料科学
Journal of Materiomics Pub Date : 2025-10-01 DOI: 10.1016/j.jmat.2025.101130
Yingying Yu, Fanyi Meng, Cheng Yang, Linda Qi, Changhao Zhao, Bo Wu, Mao-Hua Zhang
{"title":"Polarization rotation in high-performance KNN-based piezoceramics revealed by an in situ electric field pair distribution function","authors":"Yingying Yu, Fanyi Meng, Cheng Yang, Linda Qi, Changhao Zhao, Bo Wu, Mao-Hua Zhang","doi":"10.1016/j.jmat.2025.101130","DOIUrl":"https://doi.org/10.1016/j.jmat.2025.101130","url":null,"abstract":"Understanding the atomic-scale structural dynamics that enable ultrahigh piezoelectric responses in lead-free piezoceramics remains a central challenge in materials science. Here, we employ <em>in situ</em> electric field pair distribution function (PDF) analysis to elucidate the local structural origin of a KNN-based piezoceramic with a nominal composition of 0.964K<sub>0.5</sub>Na<sub>0.5</sub>Nb<sub>0.965</sub>Sb<sub>0.035</sub>O<sub>3</sub>–0.03(Bi<sub>0.5</sub>Na<sub>0.5</sub>)<sub>0.9</sub>(Ga<sub>0.5</sub>Li<sub>0.5</sub>)<sub>0.1</sub>ZrO<sub>3</sub>–0.006BiFeO<sub>3</sub> that has an exceptional piezoelectricity coefficient (<em>d</em><sub>33</sub> &gt; 500 pC/N). Combined Rietveld refinement, PDF fitting, and reverse Monte Carlo simulations revealed the coexistence of long-range tetragonal and orthorhombic phases with local <em>c</em>-type monoclinic symmetry. <em>In situ</em> electric field PDF analyses indicated a reversible polarization rotation between the &lt;001&gt;<sub>PC</sub> and &lt;110&gt;<sub>PC</sub> directions via a monoclinic plane, with a critical switching field of approximately 0.4 kV/mm. These findings establish polarization rotation, rather than abrupt phase transitions, as the governing mechanism for the enhanced piezoresponse, providing a structural design principle for next-generation lead-free piezoelectrics.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"24 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145195003","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
No-heating deposition of ferroelectric epitaxial Hf0.5Zr0.5O2 films using a sputtering method with precise RF power density and thickness control 采用精确控制射频功率密度和厚度的溅射方法无加热沉积铁电外延Hf0.5Zr0.5O2薄膜
IF 9.4 1区 材料科学
Journal of Materiomics Pub Date : 2025-09-29 DOI: 10.1016/j.jmat.2025.101129
Takanori Mimura, Yoshiko Nakamura, Yutaro Tsuchiya, Kazuki Okamoto, Hiroshi Funakubo
{"title":"No-heating deposition of ferroelectric epitaxial Hf0.5Zr0.5O2 films using a sputtering method with precise RF power density and thickness control","authors":"Takanori Mimura, Yoshiko Nakamura, Yutaro Tsuchiya, Kazuki Okamoto, Hiroshi Funakubo","doi":"10.1016/j.jmat.2025.101129","DOIUrl":"https://doi.org/10.1016/j.jmat.2025.101129","url":null,"abstract":"The no-heating deposition of (111)-oriented epitaxial (Hf<sub>0.5</sub>Zr<sub>0.5</sub>)O<sub>2</sub> films was successfully achieved on (111) indium tin oxide//(111) yttria-stabilized zirconia substrates using a radio-frequency (RF) magnetron sputtering method. As the RF power density was increased, the crystal phase changed sequentially from the tetragonal, the orthorhombic, and then to the monoclinic phase. A similar trend in the crystal phase was also observed with increasing film thickness. The (Hf<sub>0.5</sub>Zr<sub>0.5</sub>)O<sub>2</sub> film exhibited ferroelectric properties comparable to the (Y<sub>0.07</sub>Hf<sub>0.93</sub>)O<sub>2</sub> film previously produced <em>via</em> non-heating film deposition. Upon heat treatment at 1000 °C, the crystal phase of the film transitioned from the orthorhombic phase to the monoclinic phase, indicating that the stability of the orthorhombic phase is low compared with (Y<sub>0.07</sub>Hf<sub>0.93</sub>)O<sub>2</sub>. Therefore, precise control of the RF power density and film thickness is essential for preparing ferroelectric (Hf<sub>0.5</sub>Zr<sub>0.5</sub>)O<sub>2</sub> films without heating.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"21 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145182941","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
DFT insights on iron-based layered perovskites as oxygen catalysts 铁基层状钙钛矿作为氧催化剂的DFT研究
IF 9.4 1区 材料科学
Journal of Materiomics Pub Date : 2025-09-26 DOI: 10.1016/j.jmat.2025.101128
M.Elena Arroyo-de Dompablo, Marianela Gomez-Toledo
{"title":"DFT insights on iron-based layered perovskites as oxygen catalysts","authors":"M.Elena Arroyo-de Dompablo, Marianela Gomez-Toledo","doi":"10.1016/j.jmat.2025.101128","DOIUrl":"https://doi.org/10.1016/j.jmat.2025.101128","url":null,"abstract":"Density Functional Theory (DFT)-derived electronic descriptors are key to accelerating the design of effective ORR/OER catalysts. The O 2p-band center, in particular, is a robust descriptor of catalytic activity in perovskite oxides. This study examines the O 2p-band center in Fe<sup>4+</sup> perovskite-type layered oxides, focusing on the Ruddlesden Popper (RP) phases Sr<sub>2</sub>FeO<sub>4</sub> and Sr<sub>3</sub>Fe<sub>2</sub>O<sub>7,</sub> as well as the high-Tc superconductor YSr<sub>2</sub>Cu<sub>2</sub>FeO<sub>8.</sub> The analysis emphasizes trends driven by compositional modifications. The O 2p-band centers of Sr<sub>2–2<em>x</em></sub>La<sub>2<em>x</em></sub>FeO<sub>4</sub> and Sr<sub>3–3<em>x</em></sub>La<sub>3<em>x</em></sub>Fe<sub>2</sub>O<sub>7</sub> (0 &lt; <em>x</em> &lt; 1) correlate linearly with the Fe oxidation state, and span a wide energy range (–1.2 eV to –4.7 eV with PBE+<em>U;</em> –1.9 eV to –4.7 eV with SCAN). Partial substitution of Fe with 3d transition metals (TM) in Sr<sub>2</sub>Fe<sub>7/8<em>x</em></sub>M<sub>1/8</sub>O<sub>4</sub> shifts the O 2p band center, with the more electronegative TMs bringing it closer to the Fermi level. RP-Sr<sub>2</sub>FeO<sub>4</sub> exhibits remarkable tunability of the O 2p-band center, enabling the compositionally driven design of oxygen catalysts with potentially improved activity–stability balance. In contrast, YSr<sub>2</sub>Cu<sub>2</sub>FeO<sub>7+<em>δ</em></sub> (0 &lt; <em>δ</em> &lt; 1) shows no correlation between the O 2p-band center and Fe oxidation states, likely due to a change in Fe coordination from octahedral (<em>δ</em> = 1) to tetrahedral (<em>δ</em> = 0). The O 2p-center values (–0.9 eV to –1.3 eV with PBE+<em>U;</em> –1.5 eV to –2 eV with SCAN) suggest that YSr<sub>2</sub>Cu<sub>2</sub>FeO<sub>7+<em>δ</em></sub> could potentially catalyze the ORR/OER, though stability over operation time remains a challenge.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"63 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145141167","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
Multi-functional design of ultra-high temperature ceramics coatings 超高温陶瓷涂料的多功能设计
IF 9.4 1区 材料科学
Journal of Materiomics Pub Date : 2025-09-15 DOI: 10.1016/j.jmat.2025.101127
Yanfei Liu, Ruize Zhang, Shaopu Liu, Jieliang Zhao, Xiaojun Tang, Yanbo Liu
{"title":"Multi-functional design of ultra-high temperature ceramics coatings","authors":"Yanfei Liu, Ruize Zhang, Shaopu Liu, Jieliang Zhao, Xiaojun Tang, Yanbo Liu","doi":"10.1016/j.jmat.2025.101127","DOIUrl":"https://doi.org/10.1016/j.jmat.2025.101127","url":null,"abstract":"Ultra-high temperature ceramics (UHTCs) exhibit ultra-high melting points and relatively high mechanical performance, making them ideal coating materials for extreme environment applications like hypersonic vehicles. Recently, novel design strategies of UHTCs coatings have been proposed, mainly including the composition and structural design. In this article, state-of-the-art approaches including multilayer and gradient UHTC coatings for enhanced mechanical and ablation resistance, surface engineering for the improvement of coating adhesion, materials and microstructural design for thermal insulation, laser ablation protection, and drag reduction were reviewed. Furthermore, advanced designing and fabrication techniques for UHTC coatings are also prospected, which can provide insights for the development of next-generation multi-functional UHTC coatings for harsh conditions.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"36 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145068093","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
Negative thermal expansion ScF3 ceramic for electronic packaging applications 负热膨胀ScF3陶瓷电子封装应用
IF 9.4 1区 材料科学
Journal of Materiomics Pub Date : 2025-09-09 DOI: 10.1016/j.jmat.2025.101126
Jin Cheng, Hongye Wang, Xinwei Xu, Naichao Chen, Zhan Zeng, Xiaoyu Li, Biao Guo, Binfeng Zhao, Hong Wang
{"title":"Negative thermal expansion ScF3 ceramic for electronic packaging applications","authors":"Jin Cheng, Hongye Wang, Xinwei Xu, Naichao Chen, Zhan Zeng, Xiaoyu Li, Biao Guo, Binfeng Zhao, Hong Wang","doi":"10.1016/j.jmat.2025.101126","DOIUrl":"https://doi.org/10.1016/j.jmat.2025.101126","url":null,"abstract":"To meet the demands of miniaturization and integration in modern electronic packaging, developing materials with low coefficient of thermal expansion (CTE) is essential to reduce thermal stress and enhance device reliability. In this study, the dense negative thermal expansion ceramic ScF<sub>3</sub> was prepared with a CTE of –8.86×10<sup>–6</sup>/°C. The ScF<sub>3</sub> ceramic was cold sintered at 150 °C, exhibiting a low permittivity of 5.3 and a high quality factor (<em>Q</em>×<em>f</em>) of 14,700 GHz. By incorporating ScF<sub>3</sub> to the hexagonal boron nitride (BN) ceramic, the CTE of ScF<sub>3</sub>-BN composite ceramic was adjusted to 3.36×10<sup>–6</sup>/°C, establishing compatibility with silicon-based chips. And finite element simulations verified that ScF<sub>3</sub>-BN composite significantly reduces thermal stress compared to Li<sub>2</sub>MoO<sub>4</sub> or Al<sub>2</sub>O<sub>3</sub> ceramics. Furthermore, this work demonstrates the potential of cold-sintered ScF<sub>3</sub> to regulate thermal expansion in packaging substrates, paving the way for improved performance in next-generation electronic devices.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"38 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145017631","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
HfO2-based thin films and devices 基于hfo2的薄膜和器件
IF 9.4 1区 材料科学
Journal of Materiomics Pub Date : 2025-09-08 DOI: 10.1016/j.jmat.2025.101125
Xiaoguang Li, Min Hyuk Park, Ji-Yan Dai, Yuewei Yin
{"title":"HfO2-based thin films and devices","authors":"Xiaoguang Li, Min Hyuk Park, Ji-Yan Dai, Yuewei Yin","doi":"10.1016/j.jmat.2025.101125","DOIUrl":"https://doi.org/10.1016/j.jmat.2025.101125","url":null,"abstract":"HfO<sub>2</sub>-based thin films and devices have attracted considerable interest owing to their outstanding properties, such as high dielectric constant, robust ferroelectricity, wide bandgap, excellent thermal stability, and full compatibility with complementary metal-oxide-semiconductor (CMOS) processing. As a high-<em>k</em> gate dielectric, HfO<sub>2</sub>-based films have already replaced SiO<sub>2</sub> in certain advanced CMOS technologies, facilitating the development of faster, smaller, and more energy-efficient integrated circuits. In particular, the discovery of ferroelectricity in doped HfO<sub>2</sub> thin films in 2011 further established HfO<sub>2</sub>-based ferroelectrics as promising candidates for next-generation memory technologies <span><span>[1]</span></span>, <span><span>[2]</span></span>. Their advantages are evident: 3D conformable HfO<sub>2</sub> films can be deposited by atomic layer deposition (ALD) and crystallized at CMOS-compatible low temperatures, and robust ferroelectricity is maintained at thicknesses &lt;10 nm. These characteristics make them highly suitable for nonvolatile memory, negative-capacitance transistors, etc., offering the prospects of higher speed and lower power consumption for CMOS devices. Hence, industrial progress is also evident: for instance, in 2023, Micron Technology introduced a 32 Gb high-density ferroelectric random-access memory (FeRAM) device based on ferroelectric HfO<sub>2</sub>, exceeding the ∼16 Mb capacity of commercial perovskite-based FeRAMs and highlighting its scalability <span><span>[3]</span></span>.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"52 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145009443","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
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 9.4 1区 材料科学
Journal of Materiomics Pub 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
{"title":"Thermal anisotropy in chopped Cf reinforced SiC composites by laser printing and polymer infiltration-pyrolysis techniques","authors":"Huisheng Tian, Yan Zhou, Jie Yin, Buhao Zhang, Li Wang, Jiayi Geng, Zhengren Huang","doi":"10.1016/j.jmat.2025.101124","DOIUrl":"https://doi.org/10.1016/j.jmat.2025.101124","url":null,"abstract":"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<ce:inf loc=\"post\">f</ce:inf>/SiC composites that integrate both structural and functional properties. The optimized composite (20% (in volume) chopped C<ce:inf loc=\"post\">f</ce:inf>) exhibited high fiber alignment (<ce:italic>f</ce:italic><ce:inf loc=\"post\">p</ce:inf> = 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.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"48 1","pages":"101124"},"PeriodicalIF":9.4,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144899768","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
Highly enhanced thermoelectric performance in (In, Pb) co-doped Bi-Sb-Te alloys via synergistic modulation of carrier concentration and band structure 通过协同调制载流子浓度和能带结构,(in, Pb)共掺Bi-Sb-Te合金的热电性能得到了显著提高
IF 9.4 1区 材料科学
Journal of Materiomics Pub Date : 2025-08-14 DOI: 10.1016/j.jmat.2025.101115
Jiang-Hu Yu, Yu Wang, Chong-Yu Wang, Hao Liang, Yi-Lin Liu, Ze-Yuan Yang, Yi-Xin Zhang, Jing Feng, Zhen-Hua Ge
{"title":"Highly enhanced thermoelectric performance in (In, Pb) co-doped Bi-Sb-Te alloys via synergistic modulation of carrier concentration and band structure","authors":"Jiang-Hu Yu, Yu Wang, Chong-Yu Wang, Hao Liang, Yi-Lin Liu, Ze-Yuan Yang, Yi-Xin Zhang, Jing Feng, Zhen-Hua Ge","doi":"10.1016/j.jmat.2025.101115","DOIUrl":"https://doi.org/10.1016/j.jmat.2025.101115","url":null,"abstract":"The extensive utilization of thermoelectric (TE) conversion technology necessitates stricter performance requirements for bismuth telluride (Bi<sub>2</sub>Te<sub>3</sub>)-based commercial materials. Despite the numerous optimization methods available for Bi<sub>2</sub>Te<sub>3</sub>-based materials, each optimization method has a certain upper limitation, and combining multiple strategies can achieve the optimal thermoelectric figure of merit (<em>zT</em>). In this study, the thermoelectric properties of (Bi,Sb)<sub>2</sub>Te<sub>3</sub> materials are enhanced through the combined use of the heavy element Pb to regulate carrier concentration and the In element to optimize the band structure. Notably, indium (In) can suppress p-type antisite defects, which generate abundant Te vacancies, and help regulate the carrier concentration to its optimal level. This co-doping strategy achieves optimal carrier concentration, thereby enhancing the power factor (PF=4.57×10<sup>3</sup> μW⸱m<sup>–1</sup>⸱K<sup>–2</sup>), and generating abundant dislocations, the presence of the rich nano-second phase Sb<sub>2</sub>O<sub>3</sub> contributes to reduced lattice thermal conductivity. Consequently, a peak <em>zT</em> value of 1.41 at 323 K and a high average <em>zT</em> value of 1.23 between 300 K and 500 K are achieved. Additionally, two pairs of thermoelectric modules, composed of p-type (Bi<sub>0.42</sub>Sb<sub>1.58</sub>)<sub>0.994</sub>(In, Pb)<sub>0.006</sub>Te<sub>3</sub> and zone-melted n-type Bi<sub>2</sub>Te<sub>2.7</sub>Se<sub>0.3</sub>, demonstrate a conversion efficiency of 7.3% at a temperature difference of 250 K. This underscores the promising potential of these thermoelectric modules in commercialization. Thus, this study demonstrates the feasibility of combining multiple strategies and is expected to provide a potential reference for other thermoelectric systems.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"27 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144851563","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
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 9.4 1区 材料科学
Journal of Materiomics Pub Date : 2025-08-14 DOI: 10.1016/j.jmat.2025.101123
Hao Bai, Peng Wei, Lei Zhuang, Hui Wang, Hulei Yu, Yanhui Chu
{"title":"Inverse design of high-entropy rare-earth monosilicates with superior CMAS corrosion resistance","authors":"Hao Bai, Peng Wei, Lei Zhuang, Hui Wang, Hulei Yu, Yanhui Chu","doi":"10.1016/j.jmat.2025.101123","DOIUrl":"https://doi.org/10.1016/j.jmat.2025.101123","url":null,"abstract":"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<sub>2/15</sub>Er<sub>3/5</sub>Yb<sub>2/15</sub>Lu<sub>2/15</sub>)<sub>2</sub>SiO<sub>5</sub> (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.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"9 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144851562","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
Metallic grain boundary resistance in the high temperature thermoelectric La3Te4 高温热电la3te4的金属晶界电阻
IF 9.6 1区 材料科学
Journal of Materiomics Pub Date : 2025-08-14 DOI: 10.1016/j.jmat.2025.101116
Duncan Zavanelli , Eleonora Isotta , Ruben Bueno Villoro , Siyuan Zhang , Christina Scheu , Sabah Bux , G.Jeffrey Snyder
{"title":"Metallic grain boundary resistance in the high temperature thermoelectric La3Te4","authors":"Duncan Zavanelli ,&nbsp;Eleonora Isotta ,&nbsp;Ruben Bueno Villoro ,&nbsp;Siyuan Zhang ,&nbsp;Christina Scheu ,&nbsp;Sabah Bux ,&nbsp;G.Jeffrey Snyder","doi":"10.1016/j.jmat.2025.101116","DOIUrl":"10.1016/j.jmat.2025.101116","url":null,"abstract":"<div><div>Electrical resistance from grain boundaries limits the thermoelectric performance of many materials. Boundary resistance is typically observed as an increase in resistivity at low temperature that decays exponentially with temperature like the resistivity of an insulator. As a result, engineering studies to mitigate boundary resistance have focused on low temperature thermoelectrics like Mg<sub>3</sub>Sb<sub>2</sub> or improving the average <em>zT</em> of fine-grained, mid-temperature thermoelectrics like half-Heuslers. With less impact at high temperature, there has been little motivation to mitigate boundary resistance in high temperature materials. In this work, we demonstrate that it is necessary to consider grain boundary resistance even in high temperature thermoelectrics by improving thermoelectric performance at temperatures up to 1000 °C in La<sub>3</sub>Te<sub>4</sub> by increasing grain size. In contrast with previous reports, this improved performance is largest at high rather than low temperatures. This is a result of a form of boundary resistance not previously reported in thermoelectric materials: uncharged or metallic boundary resistance. We observe a boundary resistance that increases linearly with temperature as expected in metals. With both this new form of boundary resistance and improved high temperature performance in La<sub>3</sub>Te<sub>4</sub>, we have demonstrated that grain boundary engineering is necessary even for high temperature applications.</div></div>","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 6","pages":"Article 101116"},"PeriodicalIF":9.6,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144851564","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
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