Journal of Materiomics最新文献

{"title":"Compositional engineering of HfAlOx interlayers for defect-mediated synaptic plasticity in IGZO memtransistors for neuromorphic computing","authors":"Na Yeon Kim,Donghyun Kang,San Nam,Hyunhee Kim,Hyunho Jang,Jiwan Kim,Yong-Hoon Kim","doi":"10.1016/j.jmat.2026.101320","DOIUrl":"https://doi.org/10.1016/j.jmat.2026.101320","url":null,"abstract":"","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"29 1","pages":"101320"},"PeriodicalIF":9.4,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148893997","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}

{"title":"Experimentally realizing α-Li3PS4-like lithium transport in a room-temperature-stable Li4.4MS4 framework through Pareto-guided computational discovery","authors":"Min Seuk Kim, So Yeon Choi, Kyunglim Pyo, Min Young Cho, Yujin Oh, Byung Do Lee, Min Seo Sim, Woon Bae Park, Kee-Sun Sohn","doi":"10.1016/j.jmat.2026.101319","DOIUrl":"https://doi.org/10.1016/j.jmat.2026.101319","url":null,"abstract":"We present a comprehensive virtual screening of 2525 hypothetical solid-state electrolytes (SSEs) derived from five distinct parent structures: the α, β, and γ phases of Li<ce:inf loc=\"post\">3</ce:inf>PS<ce:inf loc=\"post\">4</ce:inf>, alongside the Li<ce:inf loc=\"post\">4</ce:inf>GeS<ce:inf loc=\"post\">4</ce:inf> and Li<ce:inf loc=\"post\">4.4</ce:inf>MS<ce:inf loc=\"post\">4</ce:inf> phases. To identify stabilizing elements within these frameworks, we performed <ce:italic>ab initio</ce:italic> calculations using ten co-dopants (Al/Ga/In, Si/Ge/Sn, P/Sb, and Mo/W). This computational approach provides a critical roadmap for predicting novel, multi-compositional candidates that are both synthetically feasible and thermodynamically and electrochemically stable. By evaluating the energy above hull, formation energy, band gap, and electrochemical stability window, we identified 174 promising candidates through four-dimensional Pareto sorting; subsequent stringent screening criteria narrowed these down to 28 entries. Competing phases for stability assessments were sourced from the Materials Project, ICSD, and the Google DeepMind GNoME database. Experimental synthesis and characterization for the 28 selected entries have been completed, and <ce:italic>ab initio</ce:italic> molecular dynamics (AIMD) simulations were employed to evaluate the room-temperature lithium-ion conductivity for finally selected 5 entries. Finally, five promising entries with the Li<ce:inf loc=\"post\">4.4</ce:inf>MS<ce:inf loc=\"post\">4</ce:inf> structure are proposed as potential SSE candidates. The discovery of these multi-compositional virtual SSEs not only expands the material design space but also offers a viable pathway to overcoming synthesis challenges inherent in high-performance sulfide electrolytes.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"14 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148884850","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}

{"title":"Ultrahigh energy storage density and excellent fatigue endurance in antiferroelectric ceramics via heterogeneous interface engineering","authors":"Jian Zhou, Kai Zhang, Hongchen Sun, Yujun Feng, Xiaoyong Wei, Zhuo Xu, Ran Xu","doi":"10.1016/j.jmat.2026.101318","DOIUrl":"https://doi.org/10.1016/j.jmat.2026.101318","url":null,"abstract":"Lead-based dielectric energy-storage capacitors are candidates for advanced power electronics due to ultrafast discharge speed and large power density. However, the unsatisfactory performance in synergistically optimizing both fatigue endurance and energy storage density of ABO<ce:inf loc=\"post\">3</ce:inf>-based perovskite materials has become a key bottleneck restricting their applications in cutting-edge energy storage devices. Herein, we propose heterogeneous interface engineering as an effective strategy to enhance coupling and interaction among the tetragonal and orthorhombic layers by modulating a different stacking sequence. Buffer layers in the laminated composite stabilize lattice oxygen, significantly improving fatigue endurance. Further analyses of electric tree evolution reveal the intrinsic mechanism for increasing the breakdown strength through phase field simulation based on LGD theory. Incorporating a large <ce:italic>E</ce:italic><ce:inf loc=\"post\">b</ce:inf> antiferroelectric middle layer impedes rapid breakdown-path propagation, increasing overall breakdown strength. Consequently, the heterolayered ceramic, comprising a middle layer with a 23 μm-per-layer bilayered configuration of (Pb<ce:inf loc=\"post\">0.90</ce:inf>Tm<ce:inf loc=\"post\">0.04</ce:inf>Sr<ce:inf loc=\"post\">0.04</ce:inf>)(Zr<ce:inf loc=\"post\">0.695</ce:inf>Sn<ce:inf loc=\"post\">0.3</ce:inf>Ti<ce:inf loc=\"post\">0.005</ce:inf>)O<ce:inf loc=\"post\">3</ce:inf> and outer layers with a 17 μm-per-layer bilayered configuration of (Pb<ce:inf loc=\"post\">0.915</ce:inf>La<ce:inf loc=\"post\">0.03</ce:inf>Ba<ce:inf loc=\"post\">0.04</ce:inf>)(Zr<ce:inf loc=\"post\">0.6</ce:inf>Sn<ce:inf loc=\"post\">0.35</ce:inf>Ti<ce:inf loc=\"post\">0.05</ce:inf>)O<ce:inf loc=\"post\">3</ce:inf>, simultaneously achieves outstanding fatigue endurance of 10<ce:sup loc=\"post\">4</ce:sup> cycles and an ideal recoverable energy density of 10.20 J/cm<ce:sup loc=\"post\">3</ce:sup> (efficiency ∼ 87.1%) at an electric field of 430 kV/cm, as well as excellent thermal stability. This work provides insights into optimizing antiferroelectric ceramics for advanced pulse power applications.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"1 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148852954","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}

{"title":"High-temperature evolution of Ba0.75Sr0.25Fe0.875Ga0.125O3−δ: A DFT-designed perovskite cathode for solid oxide fuel cells investigated by neutron powder diffraction","authors":"Vanessa Cascos, Lucía Sánchez de Bustamante, Mónica Chivite-Lacaba, María T. Fernández-Díaz, José A. Alonso","doi":"10.1016/j.jmat.2026.101316","DOIUrl":"https://doi.org/10.1016/j.jmat.2026.101316","url":null,"abstract":"Ba<ce:inf loc=\"post\">0.75</ce:inf>Sr<ce:inf loc=\"post\">0.25</ce:inf>Fe<ce:inf loc=\"post\">0.875</ce:inf>Ga<ce:inf loc=\"post\">0.125</ce:inf>O<ce:inf loc=\"post\">3−<ce:italic>δ</ce:italic></ce:inf> (BSFGO) is a perovskite oxide computationally designed as a high-activity, stable solid oxide fuel cell (SOFC) cathode via high-throughput density functional theory (DFT) screening. Here, we report on its experimental realization, including its detailed structural characterization by X-ray and neutron powder diffraction (NPD) in the 25<ce:italic>-</ce:italic>800 °C temperature range. The cubic <ce:italic>Pm</ce:italic><ce:math altimg=\"si1.svg\"></ce:math><ce:italic>m</ce:italic> perovskite structure is retained across the entire temperature interval. The lattice parameter expands from 4.0231 Å at room temperature to 4.0808 Å at 800 °C, with the cell volume increasing from 65.12 Å<ce:sup loc=\"post\">3</ce:sup> to 67.96 Å<ce:sup loc=\"post\">3</ce:sup>. Anisotropic displacement parameters for oxygen atoms show a moderate, temperature-driven increase, with the dominant displacement directed along the Fe−O bonds, indicative of a dynamic oxygen-vacancy mechanism relevant to mixed ionic-electronic conductivity. The material exhibits a linear thermal expansion and oxygen non-stoichiometry (O<ce:inf loc=\"post\">3−<ce:italic>δ</ce:italic></ce:inf>), with <ce:italic>δ</ce:italic> increasing with temperature, consistent with thermogravimetric analysis. Scanning electron microscopy reveals a porous microstructure suitable for cathode operation. Dilatometry and impedance spectroscopy confirm adequate mechanical and electrochemical performance, with polarization resistances below 0.2 Ω·cm<ce:sup loc=\"post\">2</ce:sup> at 850 °C. BSFGO is confirmed as a structurally robust and electrochemically active candidate cathode for IT-SOFC applications.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"17 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148852748","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}

{"title":"NbC stabilized doping in SrTiO3 for thermoelectric energy harvesting above 1000 °C","authors":"Zhi Cheng, Jihu Chen, Yunfeng Hu, Chao Zhao, Xu Wang, Qi Ding, Mingming Si, Yuchi Fan, Wan Jiang","doi":"10.1016/j.jmat.2026.101315","DOIUrl":"https://doi.org/10.1016/j.jmat.2026.101315","url":null,"abstract":"High-temperature thermoelectric materials with robust thermal stability against phase transition and elemental volatilization are essential for space exploration applications above 1000 °C. Niobium-doped strontium titanate is a promising n-type high-temperature thermoelectric material due to its high melting point and tunable electrical transport properties. However, conventional carbothermal reduction strategies used to eliminate grain boundary barriers readily induce de-doping effect, thereby deteriorating the high-temperature thermoelectric stability of the material. Herein, we propose Niobium carbide (NbC) as a mild reductant that can effectively reduce double Schottky barrier while maintaining the Nb doping equilibrium of the multi-doped Sr<ce:inf loc=\"post\">0.9</ce:inf>La<ce:inf loc=\"post\">0.05</ce:inf>Sm<ce:inf loc=\"post\">0.05</ce:inf>Ti<ce:inf loc=\"post\">0.95</ce:inf>Nb<ce:inf loc=\"post\">0.05</ce:inf>O<ce:inf loc=\"post\">3</ce:inf> (SLSTN) ceramics even at high temperature. NbC enhances the electrical performance of SLSTN while maintaining a high Seebeck coefficient, achieving a stable high power factor. The composite with 0.5%(mass fraction) NbC delivers a peak <ce:italic>zT</ce:italic> value of 0.41 at 1073 K. Moreover, by constructing a Ni<ce:inf loc=\"post\">coating</ce:inf>/(SLSTN/Ni) transition layer to reduce the interfacial contact resistance, the thermoelectric devices composed of four n-type legs achieve an open-circuit voltage of 0.38 V and a maximum output power of 284 mW at a hot-end temperature of 1045.4 °C. Therefore, this work provides an efficient strategy for optimizing oxide based thermoelectric ceramics and devices towards high temperature application.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"9 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148852744","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}

{"title":"Graphene-doped layered InSe and its thermoelectric performance modulation","authors":"Hao Chen, Xiaotang Yang, Yongxian Mu, Siqi Lin, Shiyun Wang, Yi Yan, Zhan Shao, Xiaofei Yue, Min Jin","doi":"10.1016/j.jmat.2026.101317","DOIUrl":"https://doi.org/10.1016/j.jmat.2026.101317","url":null,"abstract":"Two-dimensional layered InSe exhibits attractive physical properties and exceptional plasticity, making it a promising candidate for nanoelectronic devices. However, as a thermoelectric material, its performance is severely limited by low electrical conductivity. In this work, it is demonstrated that graphene incorporation effectively increases the electrical conductivity, thereby increasing the carrier mobility to 162.95 cm<ce:sup loc=\"post\">2</ce:sup>·V<ce:sup loc=\"post\">–1</ce:sup>·s<ce:sup loc=\"post\">–1</ce:sup> and the power factor to ∼1 μW·cm<ce:sup loc=\"post\">–1</ce:sup>·K<ce:sup loc=\"post\">–2</ce:sup>. Meanwhile, the introduction of graphene induces multiscale defects, including high-density twin boundaries and precipitate interfaces, resulting in a suppressed lattice thermal conductivity of 1.03 W·m<ce:sup loc=\"post\">–1</ce:sup>·K<ce:sup loc=\"post\">–1</ce:sup>. Eventually, the increased electrical conductivity and enhanced phonon scattering enable a significantly improved thermoelectric performance with a maximum <ce:italic>zT</ce:italic> value of 0.07 at 750 K, exceeding the performance of pristine InSe by ∼250%. In addition, graphene doping increases the hardness monotonically with increasing graphene content. This work provides a new pathway for simultaneously optimizing thermoelectric and mechanical properties in InSe materials.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"3 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148852743","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}

{"title":"Organic-inorganic composite solid-state electrolytes: Filler-specific design strategies and practical prospects","authors":"Chao Wang, Ziyan Wang, Shutao Zhang, Xueliang Sun, Yipeng Sun, Changhong Wang","doi":"10.1016/j.jmat.2026.101312","DOIUrl":"https://doi.org/10.1016/j.jmat.2026.101312","url":null,"abstract":"","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"12 1","pages":"101312"},"PeriodicalIF":9.4,"publicationDate":"2026-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148755197","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}

{"title":"Room-temperature processable amorphous Ga2O3 synaptic transistor for solar-blind ultraviolet perception","authors":"Xingqi Ji, Xuemei Yin, Yinling Chen, Xiaoqian Li, Zhongqian Song, Huijun Kong, Weiyan Li, Qian Xin, Xiaoyan Wang, Aimin Song","doi":"10.1016/j.jmat.2026.101311","DOIUrl":"https://doi.org/10.1016/j.jmat.2026.101311","url":null,"abstract":"","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"11 23 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148715320","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}

{"title":"Dual-descriptor-guided electrolyte additive screening strategy for achieving highly reversible aqueous zinc-ion batteries","authors":"Zixuan Ju, Kai Guo, Yaqiao Luo, Aiping Wang, Liquan Chen, Siqi Shi","doi":"10.1016/j.jmat.2026.101310","DOIUrl":"https://doi.org/10.1016/j.jmat.2026.101310","url":null,"abstract":"","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"48 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-08-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148715332","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}

{"title":"Spinel-based electromagnetic wave absorbing materials: Multiscale design from crystal structure to morphology regulation","authors":"Xinglai Yuan, Hao Wu, Yuxin Ma, Wei Li, Hailong Wang, Pengpeng Liang, Gang Wang, Hongxia Li, Hongliang Xu, Rui Zhang, Bingbing Fan","doi":"10.1016/j.jmat.2026.101308","DOIUrl":"https://doi.org/10.1016/j.jmat.2026.101308","url":null,"abstract":"The widespread application of electromagnetic wave technologies in telecommunications, healthcare, and defense has led to increasingly severe electromagnetic radiation pollution, driving an urgent demand for high-performance electromagnetic wave absorbing materials. Among various candidate systems, spinel-based absorbing materials stand out due to their exceptional compositional tunability, rich electromagnetic response mechanisms, and superior loss characteristics, making them a research hotspot in the field of electromagnetic functional materials. In this review, recent progress in spinel-based electromagnetic wave absorbing materials spanning from atomic-scale engineering to multiscale integration was systematically summarized. Particular emphasis is placed on entropy engineering-driven lattice distortion and defect synergistic effects, as well as on morphology engineering and heterogeneous composite strategies for constructing multiscale functional architectures and metamaterial-inspired systems. Furthermore, the fundamental structure-property relationships governing EMW attenuation are discussed, together with the current challenges and emerging opportunities in this rapidly evolving field. Finally, future research directions are also outlined to facilitate the rational design of next-generation spinel-based absorbers with enhanced efficiency and multifunctionality. This review provides a comprehensive framework for the design principles of spinel-based EMW absorbers and offers valuable insights to guide the rational development of next-generation high-performance electromagnetic functional materials.","PeriodicalId":16173,"journal":{"name":"Journal of Materiomics","volume":"2 1","pages":""},"PeriodicalIF":9.4,"publicationDate":"2026-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148767428","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}