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La-substituted W-type barium-nickel ferrites for tunable and high-performance electromagnetic wave absorption

International Journal of Minerals,Metallurgy and materials 2025年第3期32卷 645-656页

作者： Long Wang Jiurong Liu Shenghui Xie Yanli Deng Zhou Wang Shanyue Hou Shengying Yue Gang Wang Na Wu Zhihui Zeng Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials(Ministry of Education) School of Materials Science and EngineeringShandong UniversityJinan 250061China Electronic Materials Research Laboratory Key Laboratory of the Ministry of Education and International Center for Dielectric ResearchSchool of Electronic Science and EngineeringXi’an Jiaotong UniversityXi’an 710049China Army Engineering University of PLA College of Field Engineering Nanjing 210007China Laboratory for Multiscale Mechanics and Medical Science State Key Laboratory for Strength and Vibration of Mechanical StructuresSchool of AerospaceXi’an Jiaotong UniversityXi’an 710049China Department of Electrical and Computer Engineering Beckman Institute for Advanced Science and TechnologyUniversity of Illinois at Urbana-ChampaignUrbana 61801USA School of Chemistry and Chemical Engineering Shandong UniversityJinan 250100China

W-type barium-nickel ferrite(BaNi_(2)Fe_(16)O_(27))is a highly promising material for electromagnetic wave(EMW)absorption be-cause of its magnetic loss capability for EMW,low cost,large-scale production potential,high-temperature resistance,and excellent chemical ***,the poor dielectric loss of magnetic ferrites hampers their utilization,hindering enhancement in their EMW-absorption *** efficient strategies that improve the EMW-absorption performance of ferrite is highly desired but re-mains ***,an efficient strategy substituting Ba^(2+)with rare earth La^(3+)in W-type ferrite was proposed for the preparation of novel La-substituted ferrites(Ba_(1-x)LaxNi_(2)Fe_(15.4)O_(27)).The influences of La^(3+)substitution on ferrites’EMW-absorption performance and the dissipative mechanism toward EMW were systematically explored and ***^(3+)efficiently induced lattice defects,enhanced defect-induced polarization,and slightly reduced the ferrites’bandgap,enhancing the dielectric properties of the ***^(3+)also enhanced the ferromagnetic resonance loss and strengthened magnetic *** effects considerably improved the EMW-absorption perform-ance of Ba_(1-x)LaxNi_(2)Fe_(15.4)O_(27)compared with pure W-type *** x=0.2,the best EMW-absorption performance was achieved with a minimum reflection loss of-55.6 dB and effective absorption bandwidth(EAB)of 3.44 GHz.

关键词： electromagnetic wave absorption W-type barium ferrite rare earth dielectric

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High-entropy alloy nanocrystals boosting photocatalytic hydrogen evolution coupled with selective oxidation of cinnamyl alcohol

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Chinese Journal of Catalysis 2025年第1期68卷 326-335页

作者： Xianglin Xiang Bei Cheng Bicheng Zhu Chuanjia Jiang Guijie Liang Faculty of Materials Science and Engineering Kunming University of Science and TechnologyKunming 650093YunnanChina State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070HubeiChina Laboratory of Solar Fuel Faculty of Materials Science and ChemistryChina University of GeosciencesWuhan 430078HubeiChina College of Environmental Science and Engineering Nankai UniversityTianjin 300350China Hubei Key Laboratory of Low Dimensional Arts and Science Hubei University of Arts and ScienceXiangyang 441053HubeiChina

Photocatalysis provides a promising solution to the worldwide shortages of energy and industrially important raw materials by utilizing sunlight for coupled hydrogen(H_(2))production with controllable organic ***,we demonstrate that PtFeNiCoCu high-entropy alloy(HEA)nanocrystals can act as efficient cocatalysts for H_(2)evolution coupled with selective oxidation of cinnamyl alcohol to cinnamaldehyde by cubic cadmium sulfide(CdS)quantum dots(QDs)with uniform sizes of 4.0±0.5 *** nanocrystals were prepared via a simple solvothermal approach,and were successfully integrated with CdS QDs by an electrostatic self-assembly method to construct HEA/CdS *** optimized HEA/CdS sample presented an enhanced photocatalytic H_(2)production rate of 7.15 mmol g^(-1)h^(-1),which was 13 times that of pure CdS ***,a cinnamyl alcohol conversion of 96.2%with cinnamaldehyde selectivity of 99.5%was achieved after photoreaction for 3 *** integration of HEA with CdS QDs extended the optical absorption edge from 475 to 484 *** d-band center analysis,Pt atoms in the HEA are the active sites for H_(2)evolution,exhibiting higher catalytic activity than pure ***,the band structure of the CdS QDs enables the oxidative transformation of cinnamyl alcohol to cinnamaldehyde with high ***,femtosecond transient absorption spectroscopy shows that HEA can significantly promote the separation of photogenerated carriers in CdS,which is vital for achieving enhanced photocatalytic *** work inspires atomic-level design of photocatalytic materials for coordinated production of green energy carriers and value-added products.

关键词： Artificial photosynthesis d-Band center Photocatalytic hydrogen evolution Quantum dots Value-added organic synthesis

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g-C_(3)N_(4)nanosheets coupled with CoSe_(2)as co-catalyst for efficient photooxidation of xylose to xylonic acid

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Green Energy & Environment 2025年第1期10卷 231-238页

作者： Qi Hao Yijun Liu Ren Zou Ge Shi Shilian Yang Linxin Zhong Wu Yang Xiao Chi Yunpeng Liu Shimelis Admassie Xinwen Peng State Key Laboratory of Pulp and Paper Engineering South China University of TechnologyGuangzhou510641GuangdongChina Hainan Key Laboratory of Storage&Processing of Fruits and Vegetables Agricultural Products Processing Research InstituteChinese Academy of Tropical Agricultural SciencesZhanjiangGuangdong524001China Department of Chemistry and Centre for Advanced 2D Materials(CA2DM)National University of Singapore 3 Science Drive 3 Singapore117543Singapore School of Materials Science and Hydrogen Energy Foshan UniversityFoshan528231GuangdongChina Department of Chemistry Addis Ababa UniversityPO BOX 1176Addis AbabaEthiopia

Photocatalysis has emerged as an effective approach to sustainably convert biomass into value-added ***_(2)is a promising nonprecious,efficient cocatalyst for photooxidation,which can facilitate the separation of photogenerated electron–holes,increase the reaction rates,and enhance photocatalytic *** this work,we synthesized a stable and efficient photocatalysis system of CoSe_(2)/g-C_(3)N_(4)through attaching CoSe_(2)on g-C_(3)N_(4)sheets,with a yield of 50.12%for the selective photooxidation of xylose to xylonic *** light illumination,the photogenerated electrons were prone to migrating from g-C_(3)N_(4)to CoSe_(2)due to the higher work function of CoSe_(2),resulting in the accelerated separation of photogenerated electron–holes and the promoted ***,this study reveals the unique function of CoSe_(2),which can significantly promote oxygen adsorption,work as an electron sink and accelerate the generation of ·O_(2)^(-),thereby improving the selectivity toward xylonic acid over other *** work provides useful insights into the design of selective photocatalysts by engineering g-C_(3)N_(4)for biomass high-value utilization.

关键词： Biomass photooxidation Hemicelluloses Xylose g-C_(3)N_(4) Xylonic acid

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A machine learning approach to predict coefficient of friction of laser cladding high-entropy alloy coatings

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Journal of materials Research and technology 2025年 36卷 8240-8253页

作者： Yawen Pan Bingquan Xu Junjun Wang Jian Peng Zhigang Xu Qiang Shen Chuanbin Wang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology 122 Luoshi Road Wuhan 430070 PR China Hubei Key Laboratory of Plasma Chemistry and Advanced Materials Engineering Research Center of Environmental Materials and Membrane Technology of Hubei Province Wuhan Institute of Technology Wuhan 430074 PR China Chaozhou Branch of Chemistry and Chemical Engineering Guangdong Laboratory Chaozhou Guangdong 521000 PR China

Traditional method for evaluating the coefficient of friction (COF) of laser cladding high-entropy alloy (HEA) coatings, relying on extensive experiments, is costly and inefficient. To address these limitations, this study proposed an efficient machine learning (ML) approach. Random Forest, Gradient Boosting Decision Tree, and XGBoost models were developed as base models to predict the COF of HEA coatings. Feature engineering and a voting strategy were employed to enhance model accuracy and generalization ability, yielding substantial improvements in performance. The optimal model achieved a testing R 2 of 0.97. A satisfactory agreement was achieved between the predicted COFs and the experimental measurements as well as their trend. Additionally, the impact of each feature on the COF was clarified using SHAP (Shapley Additive Explanations). The results indicate that this ML approach is a promising tool for predicting the COF of HEA coatings and can serve as a valuable aid in the design and optimization of coatings.

关键词： High-entropy alloy coating Laser cladding Machine learning Tribology Wear Coefficient of friction

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Achieving enhanced thermoelectric and mechanical performance in p-type bismuth telluride through constrained hot deformation

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Ceramics International 2025年

作者： Chen, Quansheng Ji, Chen Yu, Jian Hua, Lin Zhao, Wenyu State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China School of Automotive Engineering Wuhan University of Technology Wuhan430070 China School of Materials Science and Engineering Jiujiang University Jiujiang332005 China Hubei Key Laboratory of Advanced Technology for Automobile Components Wuhan University of Technology Wuhan430070 China

Bi2Te3-based alloys remain the only commercially available thermoelectric (TE) materials. However, their practical applications are severely constrained by the inferior mechanical performance of the zone melting (ZM) ingot. Herein, a simple constrained hot deformation (CHD) technology was developed to prepare the p-type Bi0.5Sb1.5Te3 polycrystalline materials derived from ZM ingots. It was discovered that the deformation process has negligible impact on the phase composition, but can efficiently refine the grains to approximately 5 μm through the dynamic recrystallization and simultaneously introduce high-density dislocations. Although the donor-like effect induced by deformation would obviously deteriorate the electrical conductivity, the recovery effect triggered by high deformation temperature can effectively optimize the carrier concentration and thus alleviate the degradation of power factor. The material deformed at 773 K maintains a relatively high power factor ∼3.33 mW K−2 m−1 at 300 K, together with a significantly decreased lattice thermal conductivity ∼0.59 W m−1 K−1, and an improved zT ∼1.1 was obtained ultimately. More importantly, the deformed materials show a significant improvement in mechanical performance due to the grain refinement. A maximum average Vickers hardness of 0.67 GPa was achieved for the material deformed at 723 K, which is ∼40 % higher than that of the ZM ingot. Our work indicates the simple CHD is an efficient technology to synergistically enhance both TE and mechanical properties of Bi2Te3-based ZM ingot. © 2025 Elsevier Ltd and Techna Group S.r.l.

关键词： Polycrystalline materials

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Aging Precipitation Behavior of Cu-Nb Synergistic Strengthened Ferritic Stainless Steel

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JOM 2025年 1-11页

作者： Jiang, Mingkun Han, Ying Zhu, Weiwei Zu, Guoqing Sui, Qi Ran, Xu Key Laboratory of Advanced Structural Materials Ministry of Education Changchun University of Technology Changchun China School of Materials Science and Engineering Changchun University of Technology Changchun China Jilin Provincial Key Laboratory of Advanced Materials Processing and Application for Rail Transit Changchun University of Technology Changchun China

This study delves deeply into the aging precipitation behavior of Cu-Nb cooperatively strengthened ferritic stainless steel at 973.15 K. The results indicate that there are four types of Nb-bearing precipitates, namely (Fe, Cr, Si)2(Nb, Ti), (Nb, Ti)2C, (Nb, Ti)C and NbTiC2. The Nb-bearing precipitates located at the grain boundaries possess a smaller radius, a more compact distribution spacing and a greater quantity. The interface between Cu-bearing precipitates and matrix changes from coherent to incoherent with the change of crystal structure during ripening. The ripening rate of Nb-bearing precipitates is 45 times higher than that of Cu-bearing precipitates. The sharp position of the block-shaped Nb-bearing precipitates promotes the formation of new Nb-bearing precipitates, resulting in the feathery agglomeration of Nb-bearing precipitates. The high-strain field at the tip of the long diameter of Cu-bearing precipitates can also promote the precipitation of Nb-bearing precipitates, which results in the attachment of Nb-bearing and Cu-bearing precipitates.

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Second Nearest-Neighbor Modified Embedded Atom Method Interatomic Potential for Cu-Ni-Sn Ternary System

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Computers, materials & Continua 2025年第4期83卷 65-77页

作者： Jialiang Dong Xuemao Dong Zhongxue Feng Caiju Li Jianhong Yi Jun Tan School of Materials Science and Engineering Guizhou Minzu UniversityGuiyang550025China Guangdong Key Laboratory for Advanced Metallic Materials Processing and Forming National Engineering Research Center of Near-Net-Shape Forming for Metallic MaterialsSouth China University of TechnologyGuangzhou510640China Faculty of Electronic and Information Engineering Anshun UniversityAnshun561000China Faculty of Materials Science and Engineering Kunming University of Science and TechnologyKunming650093China College of Materials Science and Engineering Chongqing UniversityChongqing400044China

To explore atomic-level phenomena in the Cu-Ni-Sn alloy,a second nearest-neighbor modified embedded-atom method(2NN MEAM)potential has been developed for the Cu-Ni-Sn system,building upon the work of other *** potential demonstrates remarkable accuracy in predicting the lattice constant,with a relative error of less than 0.5%when compared to density functional theory(DFT)results,and it achieves a 10%relative error in the enthalpy of formation compared to experimental data,marking substantial advancements over prior *** bulk modulus is predicted with a relative error of 8%compared to ***,the potential effectively simulates the processes of melting and solidification of Cu-15Ni-8Sn,with a simulated melting point that closely aligns with the experimental value,within a 7.5%*** serves as a foundation for establishing a 2NN MEAM potential for a flawless Cu-Ni-Sn system and its microalloying systems.

关键词： 2NN MEAM Cu-Ni-Sn interatomic potential atomistic simulation

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Machine learning-accelerated discovery of polyimide derivatives for high-temperature electrostatic energy storage

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Energy Storage materials 2025年 78卷

作者： Wan, Chao-Fan Shen, Zhong-Hui Jiang, Jian-Yong Shen, Jie Shen, Yang Nan, Ce-Wen State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Center of Smart Materials and Devices Wuhan University of Technology Wuhan430070 China School of Materials and Microelectronics Wuhan University of Technology Wuhan430070 China Wuzhen Laboratory Tongxiang314500 China Longzhong Laboratory Xiangyang441022 China School of Materials Science and Engineering State Key Lab of New Ceramics and Fine Processing Tsinghua University Beijing 100084 China

Molecular engineering of polyimide (PI) has been an effective method for achieving high-performance polymer dielectrics with both good energy storage capability and enhanced thermal stability. However, the rational design of PI derivatives on demand remains a great challenge due to the complex and nonlinear structure-property relationships. To address this challenge, we developed an integrated framework that combines theoretical calculations, advanced molecular descriptors, and machine learning models to study the effect of molecular structures on five key properties of energy gap (Eg), lowest unoccupied molecular orbital (LUMO), dielectric constant (Dk), fractional free volume (FFV) and glass transition temperature (Tg). By employing Artificial Neural Network (ANN), the framework captured nonlinear dependencies between molecular structures and five properties, achieving the prediction accuracy of R2 > 0.90, far surpassing traditional linear models. Using a multi-objective optimization strategy to screen over 200,000 polyimide derivatives, eight optimal molecules with superior properties (e.g., Eg > 4.0 eV, Tg > 300 °C, and Dk > 3.3) were discovered with great potential for applications in high-temperature electrostatic energy storage. This study provides a robust, data-driven approach for multi-property optimization, bridging theoretical insights with machine learning to accelerate the design of advanced polymer dielectrics. © 2025

关键词： Molecular orbitals

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Ag-Induced Synergistic Enhancement of mechanical and shape memory characteristics in Cu-Al-Ni alloys

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materials Letters 2025年 395卷

作者： Zhang, Jinjin Zhang, Chi Jia, Mingyong Yin, Guanchao Chen, Fei Hubei Longzhong Laboratory Xiangyang441106 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan430070 China Hubei Technology Innovation Center for Advanced Composites Wuhan University of Technology Wuhan430070 China International School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China

This study investigates the microstructure, mechanical properties, and shape memory behavior of a series of (84-x) Cu-12Al-4Ni-xAg (x = 0, 4, 8, 12 wt%) alloys with varying Ag contents. The alloys predominantly exhibited martensitic phases: 18R and 2H, with the 18R phase becoming more prevalent as Ag was introduced. The formation of the Ag2Al phase and microstructural refinement contributed to significant improvements in mechanical properties. Notably, the alloy with 8 wt% Ag (x = 8) exhibited peak compressive strength of 947.1 MPa, the compressive strain of 14.1 %. Additionally, the inclusion of Ag enhanced the shape memory effect of the alloys, with the x = 8 alloy demonstrating a reversible strain of 4.7 % upon heating after an 8 % pre-strain. © 2025 Elsevier B.V.

关键词： Microhardness

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Novel Cellulosic Fiber Composites with Integrated Multi-Band Electromagnetic Interference Shielding and Energy Storage Functionalities

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Nano-Micro Letters 2025年第5期17卷 508-524页

作者： Xuewen Han Cheng Hao Yukang Peng Han Yu Tao Zhang Haonan Zhang Kaiwen Chen Heyu Chen Zhenxing Wang Ning Yan Junwen Pu Beijing Key Laboratory of Lignocellulosic Chemistry College of Materials Science and TechnologyBeijing Forestry UniversityBeijing 100083People’s Republic of China Department of Chemical Engineering and Applied Chemistry University of TorontoTorontoON M5S3E5Canada Key Laboratory of Advanced Marine Materials Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo 315201People’s Republic of China College of Mechanical and Electronic Engineering Northwest A&F UniversityYangling 712100ShaanxiPeople’s Republic of China Jiangsu Provincial Key Lab of Sustainable Pulp and Paper Technology and Biomass Materials Nanjing Forestry UniversityNanjing 210037People’s Republic of China Co-Innovation Center of Efficient Processing and Utilization of Forest Resources Nanjing Forestry UniversityNanjing 210037People’s Republic of China

In an era where technological advancement and sustainability converge,developing renewable materials with multifunctional integration is increasingly in *** study filled a crucial gap by integrating energy storage,multi-band electromagnetic interference(EMI)shielding,and structural design into bio-based ***,conductive polymer layers were formed within the 2,2,6,6-tetramethylpiperidine-1-oxide(TEMPO)-oxidized cellulose fiber skeleton,where a mild TEMPO-mediated oxidation system was applied to endow it with abundant macropores that could be utilized as active sites(specific surface area of 105.6 m2 g-1).Benefiting from the special hierarchical porous structure of the material,the constructed cellulose fiber-derived composites can realize high areal-specific capacitance of 12.44 F cm^(-2)at 5 m A cm^(-2)and areal energy density of 3.99 m Wh cm^(-2)(2005 m W cm^(-2))with an excellent stability of maintaining 90.23%after 10,000 cycles at 50 m A cm^(-2).Meanwhile,the composites showed a high electrical conductivity of 877.19 S m-1 and excellent EMI efficiency(>99.99%)in multiple wavelength *** composite material’s EMI values exceed 100 d B across the L,S,C,and X bands,effectively shielding electromagnetic waves in daily *** proposed strategy paves the way for utilizing bio-based materials in applications like energy storage and EMI shielding,contributing to a more sustainable future.

关键词： Cellulose fiber skeleton TEMPO mediated oxidation In-situ polymerization Multi-band EMI shielding Energy storage

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