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Rodent enamel-inspired hydroxyapatite nanocomposites with Fe 3+ -rich amorphous intergranular phases

Journal of materials Research and technology 2025年 36卷 7423-7432页

作者： Shenye Chen Zhengjian Su Bingyu Xue Benxi Xu Yafei Cheng Kun Wang Yidi Li Zhengyi Fu Hubei Longzhong Laboratory Xiangyang 441000 PR China School of Materials Science and Engineering Wuhan University of Technology Wuhan 430070 PR China State Key Laboratory of Precision Blasting Jianghan University Wuhan 430056 PR China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Wuhan 430070 PR China

Rodent enamel is primarily composed of hydroxyapatite (HAP) nanowires and Fe 3+ -rich amorphous intergranular phases (AIP). Inspired by rodent tooth enamel, this study successfully formed a layer of Fe 3+ -rich AIP on the outer layer of HAP nanowires by ion exchange between Fe 3+ and Ca 2+ within the HAP lattice. The thermal stability of Fe-HAP nanowires with Fe 3+ -rich AIP was enhanced. By bi-directional freezing of Fe-HAP nanowires with polyvinyl alcohol (PVA), rodent enamel-like nanocomposites (Fe-HEN) were obtained. Owing to the reinforcing and toughening effect of Fe 3+ -rich AIP, Fe-HEN exhibited a hardness of 1.66 ± 0.23 GPa, a Young's modulus of 48.8 ± 6.7 GPa in the longitudinal direction, as well as a hardness of 1.38 ± 0.16 GPa and a Young's modulus of 40.2 ± 3.0 GPa in the transversal direction. The flexural strength of the sample reached 153.5 ± 5.0 MPa, which is 2.9 times higher than that of samples without AIP, surpassing the performance of natural rodent enamel. The compressive strength reached 205 ± 4.3 MPa, representing a 1.5-fold increase over the sample without AIP and comparable to that of natural enamel. Compared to samples without AIP, Fe-HEN exhibits superior fracture toughness and crack deflection, better corrosion resistance, owing to the reinforcing effect of Fe 3+ -rich AIP at nanowire interfaces. This study demonstrates the incorporation of amorphous reinforced structures into the tooth enamel-like materials via ion exchange, offering a promising strategy for the development of high-performance multiscale composites.

关键词： Hydroxyapatite nanowires Amorphous intergranular phases Enamel-like nanocomposites Ion exchange Rodent enamel-inspired

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

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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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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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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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Multi-functionalized sites in metalated COFs film for chemiresistive gas sensing at room temperature

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Chemical Engineering Journal 2025年 514卷

作者： Mei, Aohan Zhou, Min Zhang, Wenyuan Bao, Yunan Liu, Yueli Chen, Wen State Key Laboratory of Silicate Materials for Architectures School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China Wuhan Brilliant Tech Co. Ltd. Wuhan430205 China

Post-synthetic modification of covalent organic frameworks (COFs) has attracted much attention due to its simple introduction of metals and functional groups as active sites for diverse applications. However, the charge transport improvement and the functions of active sites in metalated COFs are so far ignored in gas sensors. Herein, Zn2+ is loaded on two kinds of sites on TpBpy COFs film by a simple photochemical synthesis. Zn2+ coordination improves the NH3 sensitivity by increasing the charge density and adsorption of ammonia molecules. DFT simulation and UPS result prove that the suitable adsorption configuration and work function of Zn@TpBpy COFs film play the key role for the gas sensing behavior. The as-fabricated Zn@TpBpy COFs gas sensors exhibit high sensitivity with linear response behavior and a low detection limit of 500 ppb. By comparing Zn@TpBpy with Cu@TpBpy COFs, the electron donating coordination structure from the fully occupied 3d orbital in Zn2+ boosts the response value and sensing speed, providing a novel insight into manipulating sensing behavior of metalated COFs films. © 2025 Elsevier B.V.

关键词： Chemical sensors

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High-Performance Flexible Magnetic Textile Fabricated Using Porous Juncus effusus Fiber for Biomechanical Energy Harvesting

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Engineering 2025年第3期46卷 267-277页

作者： Junyao Gong Chunhua Zhang Liangjun Xia Zhaozixuan Zhou Weihao Long Zhuan Fu Sijie Zhou Hua Ji Lixin Du Weilin Xu State Key Laboratory of New Textile Materials and Advanced Processing Technologies Wuhan Textile UniversityWuhan 430200China College of Textile Science and Engineering Zhejiang University of Science and TechnologyHangzhou 310018China College of Textiles Donghua UniversityShanghai 201620China Winner Medical Co. Ltd.Wuhan 430200China Luthai Textile Co. Ltd.Zibo 255100China

Mechanical energy produced by human motion is ubiquitous,continuous,and usually not utilized,making it an attractive target for sustainable electricity-harvesting *** this study,flexible magnetic-Juncus effusus(M-JE)fibers were prepared from plant-extracted three-dimensional porous Juncus effusus(JE)fibers decorated with polyurethane and magnetic *** M-JE fibers were woven into fabrics and used for mechanical energy harvesting through electromagnetic *** M-JE fabric and induction coil,attached to the human wrist and waist,yielded continuous and stable voltage(2 V)and current(3 mA)during *** proposed M-JE fabric energy harvester exhibited good energy harvesting potential and was capable of quickly charging commercial capacitors to power small electronic *** proposed M-JE fabric exhibited good mechanical energy harvesting performance,paving the way for the use of natural plant fibers in energy-harvesting fabrics.

关键词： Juncus effusus Magnetic fabrics Electromagnetic induction Energy harvest Mechanical-electrical energy conversion

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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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Boosting Oxygen Evolution Reaction Performance on NiFe‑Based Catalysts Through d‑Orbital Hybridization

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Nano-Micro Letters 2025年第1期17卷 281-292页

作者： Xing Wang Wei Pi Sheng Hu Haifeng Bao Na Yao Wei Luo State Key Laboratory of New Textile Materials and Advanced Processing Technology Key Laboratory of New Textile Materials and Applications of Hubei ProvinceSchool of Materials Science and EngineeringWuhan Textile UniversityWuhan 430200People’s Republic of China College of Chemistry and Molecular Sciences Wuhan UniversityWuhan 430072People’s Republic of China

Anion-exchange membrane water electrolyzers(AEMWEs)for green hydrogen production have received intensive attention due to their feasibility of using earth-abundant NiFe-based *** introducing a third metal into NiFe-based catalysts to construct asymmetrical M-NiFe units,the d-orbital and electronic structures can be adjusted,which is an important strategy to achieve sufficient oxygen evolution reaction(OER)performance in ***,the ternary NiFeM(M:La,Mo)catalysts featured with distinct M-NiFe units and varying d-orbitals are reported in this *** and theoretical calculation results reveal that the doping of La leads to optimized hybridization between d orbital in NiFeM and 2p in oxygen,resulting in enhanced adsorption strength of oxygen intermediates,and reduced rate-determining step energy barrier,which is responsible for the enhanced OER *** critically,the obtained NiFeLa catalyst only requires 1.58 V to reach 1 A cm^(−2) in an anion exchange membrane electrolyzer and demonstrates excellent long-term stability of up to 600 h.

关键词： NiFe-based catalysts d-orbital coupling Oxygen evolution reaction Anion exchange membrane electrolyzer

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Controllable preparation of Eu³⁺-doped octacalcium phosphate and fluorescence study of its hydrolysis into hydroxyapatite

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CrystEngComm 2025年

作者： Zhou, Heng Chen, Jia Tan, Xinyu Wei, Xuanhe Han, Yingchao State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Biomedical Materials and Engineering Research Center of Hubei Province Wuhan University of Technology Wuhan 430070 China

Octacalcium phosphate (OCP) is generally considered the intermediate of hydroxyapatite (HAP) during bone mineralization. Crystalline phase transformation of OCP to HAP is an important topic in the study of biomineralization processes. In this study, Eu³⁺-doped OCP (Eu-OCP) was synthesized controllably by an improved co-precipitation method. The results showed that Eu-OCP had different fluorescence properties (i.e. emission intensity and I₆₁₄/I₅₉₁ ratio) due to the varied crystal field environment compared with Eu³⁺-doped HAP. Furthermore, the relationship between the I₆₁₄/I₅₉₁ ratio and the mass ratio of HAP to OCP in a HAP/OCP mixture was revealed based on a Eu³⁺ fluorescent probe, which was verified by X-ray diffraction (XRD) analysis. The I₆₁₄/I₅₉₁ ratio was related to the content (x) of HAP in the HAP/OCP mixture according to I₆₁₄/I₅₉₁ = 2.0971 − 0.70246/(1 + exp(x − 0.68956)/0.11274) (R² = 0.970). By this fluorescent probe method, the crystal phase transition from OCP to HAP was quantitatively analyzed during the hydrolysis of OCP, which was in accordance with the XRD analysis. Therefore, this fluorescent probe method has potential to monitor crystal phase transition in biomineralization in situ. © 2025 The Royal Society of Chemistry.

关键词： Hydrolysis

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