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Insights into crystal growth and morphology evolution mechanism of multi-component carbide: Experiments and first-principles calculations

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Journal of materials Science & technology 2026年 240卷 27-34页

作者： Yong Fan Yuyao Chen Jin Wang Lei Gu Kaixuan Zhou Yuanyuan Gong Wei Liu Yonghao Zhao Xiangfa Liu Jinfeng Nie Nano and Heterogeneous Materials Center School of Materials Science and Engineering Nanjing University of Science and Technology Nanjing 210094 China MIIT Key Laboratory of Advanced Metallic and Intermetallic Materials Technology School of Materials Science and Engineering Nanjing University of Science and Technology Nanjing 210094 China State Key Laboratory of Rare Earth Resource Utilization Changchun Institute of Applied Chemistry Chinese Academy of Sciences Changchun 130022 China School of Materials Science and Engineering Hohai University Changzhou 213200 China Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials Ministry of Education Shandong University Jinan 250061 China

Multi-component transition metal carbides (MTMCs) have garnered significant attention for their outstanding high-temperature stability and versatile properties, which make them ideal candidates for a wide range of industrial applications. However, the underlying mechanisms governing the crystal growth and morphological evolution of MTMCs remain poorly understood, hindering the design of materials with tailored characteristics. In this paper, we employ an in-situ liquid-solid reaction method to synthesize (HfTaZrNbTi)C MTMC powders and explore their crystal growth and morphology evolution. The synthesized (TiZrHfNbTa)C powders exhibit two distinct morphologies: cubic, primarily composed of Ti, Hf, Ta, and Zr with a small amount of Nb, and octahedral, rich in Ti and Ta with minor amounts of Hf, Nb, and Zr. First-principles calculations show that the surface energy of the (100) plane is lower than the (111) plane, leading to the formation of the cubic morphology. The octahedral morphology forms due to decreased mixing entropy and higher theoretical density compared to cubic particles. Our findings provide valuable insights into the crystal growth and morphology evolution mechanisms of high-entropy ceramics, contributing to the rational design of MTMCs with engineered crystal structures for diverse structural and functional applications.

关键词： Multi-component carbide First-principles calculations Crystal growth Morphology evolution mechanism

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Blue Light Excitation at Room Temperature in Lead-Free Perovskite Cs2ag0.6na0.4in0.8bi0.2cl6 for Optoelectronic Applications Through Enhanced Synergistic Energy Transfer with Yb-Doping

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SSRN 2025年

作者： Gong, Xiao-Kai Zhang, Xiao-Song Li, Qian Zhao, Xing-Yao Kong, Li-Na Jin, En-Ze Zhou, Bao-Zeng Xu, Jian-Ping Li, Lan School of Materials Science and Engineering Key Laboratory of Display Materials and Photoelectric Devices Ministry of Education Tianjin Key Laboratory for Photoelectric Materials and Devices Tianjin University of Technology Tianjin300384 China Science and Technology on Advanced Functional Composites Laboratory Aerospace Research Institute of Materials & Processing Technology Beijing100076 China School of Integrated Circuit Science and Engineering Tianjin Key Laboratory of Film Electronic & Communicate Devices Tianjin University of Technology Tianjin300384 China

Lead-free perovskites have become a focal point in the quest for non-toxic and stable materials for optoelectronic applications. Despite this interest, achieving blue light emission from lead-free halide double perovskites Cs2AgInCl6 at room temperature remains a significant challenge, hindering their commercial viability. In this study, we address this issue by synthesizing the rare earth lead-free double perovskite Cs2Ag0.6Na0.4In0.8Bi0.2Cl6:Yb, which demonstrates visible/NIR light emission at 598 and 1000 nm upon blue light excitation at room temperature. We show that this excitation stems from complex interactions between energy level splitting induced by Yb and self-trapped exciton energy levels. Notably, we observe that under blue excitation, the photoluminescence intensity increases with temperature. Furthermore, Cs2Ag0.6Na0.4In0.8Bi0.2Cl6:Yb was integrated into a blue light-emitting diode, enhancing the conversion efficiency of GaAs solar cells as a down-shifting layer. Ultimately, this research opens new avenues for developing eco-friendly, efficient materials with significant implications for sustainable technology. © 2025, The Authors. All rights reserved.

关键词： Perovskite

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Blue Light Excitation at Room Temperature in Lead-Free Perovskite Cs2Ag1-xNaxIn1-yBiyCl6 for Optoelectronic Devices Through Enhanced Synergistic Energy Transfer with Yb-Doping

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SSRN 2025年

关键词： III-V semiconductors

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Large Tunneling Magnetoresistance in Nonvolatile 2D Hybrid Spin Filters

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Physical Review Letters 2025年第7期134卷 077001-077001页

作者： Xiaoyu Wang Lihao Zhang Miao He Qi Li Wenqin Song Kunlin Yang Shuxi Wang Takashi Taniguchi Kenji Watanabe MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter Shaanxi Province Key Laboratory of Advanced Materials and Mesoscopic Physics School of Physics Xi’an Jiaotong University Xi’an 710049 China Anhui Key Laboratory of Low-Energy Quantum Materials and Devices High Magnetic Field Laboratory Hefei Institutes of Physical Science Chinese Academy of Sciences Hefei 230031 China Science Island Branch of Graduate School University of Science and Technology of China Hefei 230026 China Key Laboratory of Flexible Electronics and Institute of Advanced Materials Nanjing Tech University Nanjing 211816 China State Key Laboratory of Surface Physics and Institute for Nanoelectronic Devices and Quantum Computing Fudan University Shanghai 200433 China Research Center for Materials Nanoarchitectonics National Institute for Materials Science Tsukuba 305-0044 Japan Research Center for Electronic and Optical Materials National Institute for Materials Science Tsukuba 305-0044 Japan

Ferromagnetic semiconductors offer an efficient way to achieve high spin polarization via spin filtering effect. Large tunneling magnetoresistance (TMR) can then be realized when multiple spin filters are put in series, as recently demonstrated in van der Waals 2D A-type antiferromagnets such as CrI3 and CrSBr. However, the interlayer antiferromagnetic ground state of these magnets inherently results in a high resistance state at zero field, and this volatile behavior limits potential applications. Here we fabricate hybrid spin filters using 2D ferromagnetic metal Fe3GeTe2 and semiconductor CrBr3, which are nonvolatile as two magnets are magnetically decoupled. We achieve large TMR of around 100%, with its temperature dependence well fitted by the extended Jullière model. Additionally, the devices allow spin injection tuned through bias voltage, and TMR polarity reversals are observed. Our work opens a new route to develop 2D magnetic semiconductor based spintronics.

关键词： Van der Waals forces

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Dual-Aspect Control of Lithium Nucleation and Growth with Hydroxyapatite and Liquid Crystal Polymers for High-Performance Lithium Metal Batteries

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advanced Energy materials 2025年

作者： Miao, Xiang Wu, Zhouhan Hu, Wei Guo, Lin Nan, Ce-Wen School of Chemistry Beijing Advanced Innovation Center for Biomedical Engineering Beihang University Beijing100191 China State Key Laboratory of New Ceramics and Fine Processing School of Materials Science and Engineering Tsinghua University Beijing100084 China Institute for Advanced Materials and Technology University of Science and Technology Beijing Beijing100083 China

Lithium (Li) metal is a promising anode material for next-generation high-energy-density batteries. However, safety concerns and the limited lifespan due to Li dendrite formation hinder its practical application. The complex dendrite formation process involves nonuniform nucleation and radial growth, requiring a holistic strategy to simultaneously regulate both processes. In this work, a dual-aspect control strategy is developed by designing a protective layer composed of hydroxyapatite (HA) and a liquid crystal polymer (LCP). Electrochemical, microstructural, and computational analyses revealed that HA provides homogenous Li0 adsorption sites, enhancing Li nucleation kinetics and uniformity. Meanwhile, the LCP self-assembles into cation-selective channels, promoting Li-ion diffusion and regulating growth direction. This dual-aspect control significantly improved Li plating kinetics and mitigated Li dendrite formation. Benefiting from this strategy, the symmetric cell achieved a critical current density of 5 mA cm−2 and maintained a lifespan of 500 h at 3 mA cm−2. Furthermore, in Li–sulfur batteries, the cell exhibited exceptional high-rate cycling performance (>10 mA cm−2) with an average capacity decay rate of only 0.056% over 1000 cycles. These results highlight the effectiveness of dual-aspect control in suppressing Li dendrites and improving high-rate cycling stability. © 2025 Wiley-VCH GmbH.

关键词： Liquid crystals

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Microbiologically influenced corrosion of biodegradable Zn-Mn alloys by Lactobacillus acidophilus

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Journal of materials Science and technology 2025年 239卷 28-38页

作者： Wu, Lue Ji, Xiaojing Zhang, Xinyue Zhang, Mingxing Shi, Zhangzhi Na, Di Wang, Fuhui Xu, Dake Wang, Luning Corrosion and Protection Center Northeastern University Shenyang110819 China School of Materials Science and Engineering Northeastern University Shenyang110819 China Beijing Advanced Innovation Center for Materials Genome Engineering Key Laboratory for Advanced Materials Processing of Ministry of Education School of Materials Science and Engineering University of Science and Technology Beijing Beijing100083 China Ministry of Education Shenyang110001 China Institute of Materials Intelligent Technology Liaoning Academy of Materials Shenyang110004 China

Zinc-based alloys are promising biodegradable materials for application in the intestinal environment due to their appropriate degradation rates and favorable biocompatibility. However, the corrosion and degradation of biodegradable zinc alloys in the presence of intestinal microorganisms are seldom investigated. In this study, binary Zn-Mn alloys with 0.4 and 0.8 wt.% Mn content were fabricated using the extrusion process. The corrosion behaviors of pure zinc and Zn-Mn alloys with the existence of Lactobacillus acidophilus, a representative microorganism in the intestinal tract, were systematically investigated. In comparison to pure zinc, both Zn-Mn alloys exhibited enhanced strength and ductility. L. acidophilus significantly accelerated the corrosion of both pure zinc and Zn-Mn alloys by generating acidic agents. The presence of L. acidophilus increased the icorr values for pure zinc, Zn-0.4Mn, and Zn-0.8Mn from 68.7 ± 9.9, 33.9 ± 2.3 and 17.1 ± 0.1 μA cm−2 to 253.5 ± 26.7, 167.6 ± 8.7 and 30.6 ± 2.2 μA cm−2, respectively. The addition of Mn mitigated corrosion by refining grains and reducing the local surface potential difference. Compared to pure zinc, the surface potential difference of Zn-0.8Mn decreased from 31.8 ± 1.7 mV to 11.8 ± 0.9 mV. This study points out the existence of microbiologically influenced corrosion in the intestinal environment and emphasizes its importance in the comprehensive design of biodegradable zinc alloys. © 2025

关键词： Corrosive effects

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Tris-based protic ionic liquids with multiple adsorption effects enabling excellent anti-wear and anti-corrosion performances

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Journal of Molecular Liquids 2025年 425卷

作者： Ge, Shanqin Chen, Long Li, Wei Cai, Qingzhao Gong, Genxiang Wu, Junhao Yu, Jinhong Nishimura, Kazuhito Jiang, Nan Cai, Tao School of Materials Science and Chemical Engineering Ningbo University Zhejiang Ningbo315211 China State Key Laboratory of Advanced Marine Materials Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo315201 China Advanced Nano-processing Engineering Lab Mechanical Engineering Kogakuin University Tokyo192-0015 Japan

Molecular additives have garnered widespread attention in the fields of lubrication and corrosion protection due to their designable interfacial film-forming efficiency. Herein, three protic ionic liquids (PILs) with the same cation but different anions have been designed and synthesized. Their physicochemical properties, tribological properties and anti-corrosion properties were systematically investigated. Results demonstrated that under dynamic steel-on-steel friction conditions, the PILs can maximally reduce the running-in period, friction coefficient, and wear rate by 90 %, 40 %, and 97 %, respectively, compared to the commercial ionic liquid, BMIMPF6. Under static copper corrosion conditions, the PILs efficiently adsorb onto the copper surface and formed a dense oxide layer on its surface, thus achieving excellent corrosion protection for the copper substrates. Molecular dynamics (MD) simulation results indicate that the exceptional lubricity of PILs is due to its ability to rapidly adsorb onto the metal surface through multiple interaction sites on both its anionic and cationic components, thereby reducing the running-in period and swiftly establishing a lubricating film. This study provides insights into the development of molecular additives featuring multiple adsorption sites, with potential applications in the fields of tribology and corrosion engineering. © 2025

关键词： Tribology

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Quick preparation and thermal transport properties of nanostructured β-FeSi_2 bulk material

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Chinese Physics B 2009年第1期18卷 287-292页

作者：李涵唐新峰曹卫强张清杰 State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology

This paper reports that the nanostructured β-FeSi2 bulk materials are prepared by a new synthesis process by combining melt spinning （MS） and subsequent spark plasma sintering （SPS）. It investigates the influence of linear speed of the rolling copper wheel, injection pressure and SPS regime on microstructure and phase composition of the rapidly solidified ribbons after MS and bulk production respectively, and discusses the effects of the microstructure on thermal transport properties. There are two crystalline phases （α-Fe2Si5 and ε-FeSi） in the rapidly solidified ribbons; the crystal grains become smaller when the cooling rate increases （the 20 nm minimum crystal of ε-FeSi is obtained）. Having been sintered for 1 min above 1123K and annealed for 5min at 923K, the single-phase nanostructured β- FeSi2 bulk materials with 200-500 nm grain size and 98% relative density are obtained. The microstructure of β-FeSi2 has great effect on thermal transport properties. With decreasing sintering temperature, the grain size decreases, the thermal conductivity of β-FeSi2 is reduced remarkably. The thermal conductivity of β-FeSi2 decreases notably （reduced 72% at room temperature） in comparison with the β-FeSi2 prepared by traditional casting method.

关键词： thermoelectric materials nanostructure thermal conductivity

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Full-Scaling Friction and Wear Laws of Nanotwinned Metals

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Physical Review Letters 2025年第16期134卷 166201-166201页

作者： Yan Lin Ziyue Zhang Fenghui Duan Fangming Wang Fei Liang Qicheng Zhang Yong Li Jie Pan Keke Chang Yonghao Zhao Yuntian Zhu Xiang Chen Nano and Heterogeneous Materials Center School of Materials Science and Engineering Nanjing University of Science and Technology Nanjing China Department of Materials Science and Engineering City University of Hong Kong Hong Kong China State Key Laboratory of Advanced Marine Materials Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences Ningbo China State Key Laboratory of Material Processing and Die and Mould Technology and School of Materials Science and Engineering Huazhong University of Science and Technology Wuhan China School of Materials Science and Engineering Hohai University Changzhou China

Ultrastrong nanotwinned (NT) metals hold promise for mitigating friction and wear—essential for enhancing the energy efficiency and longevity of all moving systems. However, optimizing their tribological performance has long suffered from the absence of friction and wear laws across varying tribological loading scales. Here, we have discovered full-scaling twin lamella spacing (λ)-dependent friction and wear laws in NT pure nickel and identified critical deformation mechanisms for reducing friction and wear. Nanoscale friction initially increases with decreasing λ, peaking at 20 nm, and then decreases due to a transition from dislocation-twin boundary interactions to detwinning. Under microscale loading, friction and wear reduce linearly with decreasing λ, attributed to an unforeseen phase transition from face-centered cubic to hexagonal close-packed structures. Furthermore, under macroscale loading, the formation of a durable oxide layer and a stable gradient nanostructure in nanotwinned nickel with λ exceeding 20 nm aids in mitigating wear loss.

关键词： Nickel

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An Unprecedented Efficiency with Approaching 21%Enabled by Additive‑Assisted Layer‑by‑Layer processing in Organic Solar Cells

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Nano-Micro Letters 2025年第2期17卷 372-375页

作者： Shuai Xu Youdi Zhang Yanna Sun Pei Cheng Zhaoyang Yao Ning Li Long Ye Lijian Zuo Ke Gao Key Laboratory of Advanced Green Functional Materials College of ChemistryChangchun Normal UniversityChangchun 130032People’s Republic of China Shandong Provincial Key Laboratory for Science of Material Creation and Energy Conversion School of Chemistry and Chemical EngineeringShandong UniversityQingdao 266237People’s Republic of China College of Polymer Science and Engineering Sichuan UniversityChengdu 610065People’s Republic of China State Key Laboratory and Institute of Elemento‑Organic Chemistry Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer MaterialsRenewable Energy Conversion and Storage Center(RECAST)College of ChemistryNankai UniversityTianjin 300071People’s Republic of China Institute of Polymer Optoelectronic Materials and Devices State Key Laboratory of Luminescent Materials and Devices South China University of TechnologyGuangzhou 510640People’s Republic of China Tianjin Key Laboratory of Molecular Optoelectronic Sciences School of Materials Science and EngineeringTianjin UniversityTianjin 300350People’s Republic of China State Key Laboratory of Silicon Materials MOE Key Laboratory of Macromolecular Synthesis and FunctionalizationDepartment of Polymer Science and EngineeringZhejiang UniversityHangzhou 310027People’s Republic of China

Recently published in Joule,Feng Liu and colleagues from Shanghai Jiaotong University reported a record-breaking 20.8%power conversion efficiency in organic solar cells(OSCs)with an interpenetrating fibril network active layer morphology,featuring a bulk p-in structure and proper vertical segregation achieved through additive-assisted layer-by-layer *** optimized hierarchical gradient fibrillar morphology and optical management synergistically facilitates exciton diffusion,reduces recombination losses,and enhances light capture *** approach not only offers a solution to achieving high-efficiency devices but also demonstrates the potential for commercial applications of OSCs.

关键词： Organic solar cells Additive-assisted layer-by-layer processing Three-dimensional fibril morphology Bulk p-i-n structure Optical management

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