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Single atom Pd1/ZIF-8 catalyst via partial ligand exchange

Nano Research 2023年第5期16卷 8003-8011页

作者： Xin Li Fengwei Zhang Xu Han Jun-Hao Wang Xiaoqin Cui Peng Xing Huan Li Xian-Ming Zhang Institute of Crystalline Materials Shanxi UniversityTaiyuan 030006China Country College of Chemistry&Chemical Engineering Key Laboratory of Interface Science and Engineering in Advanced MaterialMinistry of EducationTaiyuan University of TechnologyTaiyuan 030024China

A partial ligand exchange strategy for fabricating catalytically active single palladium site immobilized on zeolitic imidazolate framework-8(ZIF-8,Pd1/ZIF-8)is proposed in this *** one-step synthesis simply involves reacting Na_(2)PdCl_(4) with ZIF-8 in *** Cl ligands of Na_(2)PdCl_(4) exchanged with 2-methylimidazole(2-MeIm)of the framework,resulting in the anchoring Pd on the framework and dissociation of Zn into the *** whole synthesis is performed at ambient conditions and the crystalline integrity of ZIF-8 is well *** resulting Pd_(1)/ZIF-8 is extensively characterized by different techniques which confirm the proposed ***_(1)/ZIF-8 is also successfully applied in the size-selective semi-hydrogenation of alkynes.

关键词： single atom catalyst metal-organic frameworks ligand exchange hydrogenation

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Molecular simulation and experimental investigation of thermal conductivity of flexible graphite film

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Journal of Materiomics 2024年第6期10卷 1261-1269页

作者： Shiyu Hou Yang Liu Qingtao Yu Jikun Chen Ruitao Lv Wanci Shen Feiyu Kang Zheng-Hong Huang Key Laboratory of Advanced Materials of Ministry of Education School of Materials Science and EngineeringTsinghua UniversityBeijing100084China School of Materials Science and Engineering University of Science and Technology BeijingBeijing100083China School of Materials Science and Engineering Beihang UniversityBeijing100191China

Flexible graphite film(FGF),as a traditional interface heat dissipation material,has high *** is a challenge to enhance both in-plane and through-plane thermal conductivity of *** this reason,the effects of oxygen content,layer spacing,density and particle size on the in-plane and through-plane thermal conductivity of FGF were studied by both molecular simulation and experimental *** simulation results indicate that the ways to improve the thermal conductivity of FGF include reducing oxygen content and layer spacing,increasing the density and matching the size of graphite *** FGF prepared from room temperature exfoliated graphite(RTFGF)has a wide range of adjustable density(1.3–2.0 g/cm^(3))and thickness(50–400μm).The thermal conductivity of the RTFGF is significantly improved after heat treatment owing to reduced oxygen content and layer spacing,which is consistent with the simulation ***,RTFGF with both high in-plane(518 W·m^(-1)·K^(-1))and through-plane(7.2 W·m^(-1)·K^(-1))thermal conductivity can be obtained by particle size matching of graphite.

关键词： Room temperature exfoliated graphite Flexible graphite film Thermal conductivity Molecular simulation Anisotropy

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Ultrasonic-assisted Hydrothermal Synthesis Autoclaved Bricks from Municipal Solid Waste Incineration Fly Ash and Coal Fly Ash(MSWI-FA)

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Journal of Wuhan University of Technology(materials science) 2025年第2期40卷 439-448页

作者： GUO Xiaolu HU Jiajun WANG Cheng Key Laboratory of Advanced Civil Engineering Materials of Ministry of Education School of Materials Science and EngineeringTongji UniversityShanghai 201804China School of Materials Science and Technology Shaanxi Key Laboratory of Green Preparation and Functionalization for Inorganic MaterialsShaanxi University of Science and TechnologyXi’an 710021China

Municipal solid waste incineration fly ash(MSWI)is considered as one of the hazardous wastes and requires to be well disposed to reduce the contaminant to the *** to the production of coal fly ash(FA)bricks,MSWI and FA were utilized to prepare autoclaved MSWI-FA block ***-assisted hydrothermal synthesis technology was used for production to explore the effect of ultrasonic *** strength,dry density,and water absorption tests were conducted to determine the optimal ultrasonic *** pre-treating mechanisms were investigated by SEM,FT-IR,particle size analysis,and ***,the micro-analyses of block samples were *** heavy metal leaching concentration was studied to assess the environmental *** experimental results show that the ultrasonic pre-treating time,water bath temperature,and ultrasonic power of 3 h,30℃,and 840 W are the optimal,under which the compressive strength,dry density,and water absorption were 8.14 MPa,1417.48 kg/m^(3),and 0.38,*** is shown that ultrasound destroys the surface structure of raw materials and smaller FA particles embed into *** particle size distribution of pre-treated raw materials mixture is wider and total pore volume is decreased by 6.3%.During hydrothermal processing,more Al-substituted tobermorite crystals are generated,which is the main source of higher strength and smaller pore volume of prepared block *** solidification/stabilization rates of Cu,Pb,and Zn increased by 30.77%,4.76%,and 35.29%,*** study shows a feasible way to utilize MSWI as raw material for construction.

关键词： municipal solid waste incineration fly ash coal fly ash ultrasonic pre-treatment hydrothermal synthesis environmental safety

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Enamel matrix proteins in promoting saliva lubrication

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Friction 2024年第10期12卷 2298-2312页

作者： Hujun WANG Yue TANG Haonan QIU Jingyang HU Yuan SU Jing ZHENG Zhongrong ZHOU Tribology Research Institute School of Mechanical Engineering and Key Laboratory of Advanced Technologies of Materials(Ministry of Education)Southwest Jiaotong UniversityChengdu 610031China

Anti-wear performance of human enamel in the mouth is closely related to the lubrication of salivary *** is well known that the inorganic hydroxyapatite(HA)of the enamel plays an important role in the adsorption and pellicle-forming of salivary proteins on the enamel,but the role of enamel matrix proteins remains *** this study,the adsorption and lubrication behavior of salivary proteins on original,heated,and deproteinated enamel surfaces was comparatively investigated using an atomic force microscopy and nano-indentation/scratch *** with that on the original enamel surface,the adsorption and lubrication behavior of salivary proteins remains almost unchanged on the heated enamel surface(where the enamel matrix proteins are denatured but the size of HA crystalline nanoparticles keeps constant)but exhibits an obvious compromise on the deproteinated enamel surface(where the enamel matrix proteins are removed and agglomeration of HA crystallites occurs).The HA agglomeration weakens the electrostatic interaction of enamel surfaces with salivary proteins to cause a distinct negative influence on the adsorption and pellicle-forming of salivary ***,the negative effect is confirmed with a quartz crystal microbalance with *** summary,by regulating enamel nanostructure for appropriate electrostatic interactions between salivary proteins and enamel surfaces,the enamel matrix proteins play an essential role in the adsorption and pellicle-forming of salivary proteins on human enamel,and then contribute to saliva lubrication,which provides the enamel with an anti-wear *** findings will promote and assist the design of enamel-inspired anti-wear materials.

关键词： enamel matrix proteins hydroxyapatite(HA)crystalline nanoparticles salivary proteins adsorption lubrication

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Mechanical behavior of TiAl alloys

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science China(Technological sciences) 2023年第9期66卷 2457-2480页

作者： XIANG HengGao CHEN Yang QI ZhiXiang ZHENG Gong CHEN FengRui CAO YueDe LIU Xu ZHOU Bing CHEN Guang National Key Laboratory of Advanced Casting Technologies MIIT Key Laboratory of Advanced Metallic and Intermetallic Materials TechnologyEngineering Research Center of Materials Behavior and DesignMinistry of EducationNanjing University of Science and TechnologyNanjing 210094China

Intermetallic TiAl alloys attract much attention in advanced engineering fields due to their low density(3.9–4.2 g/cm3) and excellent high-temperature properties. After more than half a century of research and development, TiAl alloys have found applications in aerospace, automotive, and related industries. However, as a kind of semi-brittle materials, intermetallic TiAl alloys exhibit different mechanical behavior from metallic and ceramic materials. Thus, it is necessary to systematically understand their mechanical behavior to ensure further developments and safe engineering applications. In this paper, the principal mechanical behavior of Ti Al alloys was reviewed comprehensively, including tension, creep, fatigue, and strengthening mechanisms. The mechanical performance and the corresponding deformation mechanisms are summarized and discussed in detail. The future directions of mechanical research on TiAl alloys are also overviewed to expedite their extensive utilization in engineering fields.

关键词： TiAl tension creep fatigue strengthening mechanisms

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Organic interfacial engineering of gold nanowires for selective glycerol electrooxidation

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Chinese Chemical Letters 2024年第3期35卷 502-507页

作者： Zhe Wang Qingling Hong Boqiang Miao Tianjiao Wang Yu Ding Pujun Jin Pei Chen Yu Chen Key Laboratory of Macromolecular Science of Shaanxi Province Key Laboratory of Applied Surface and Colloid Chemistry(Ministry of Education)Shaanxi Key Laboratory for Advanced Energy DevicesSchool of Materials Science and EngineeringShaanxi Normal UniversityXi'an 710062China

The selective electrochemical conversion of glycerol into value-added products is a green and sustainable strategy for the biomass *** this work,Au nanowires(Au-NW)modified with polyethyleneimine(PEI)molecule(Au-NW@PEI)is obtained by an up-bottom post-modification *** characterization,molecular dynamics simulation and density functional theory demonstrate that the loose-packed PEI monolayer firmly and uniformly distribute on the Au-NW surface due to the strong Au-N *** experiments and product analysis display that PEI modification significantly enhance the electro-activity of Au-NW for the glycerol electro-oxidation reaction(GEOR)due to the electronic ***,the steric hindrance and electrostatic effect of PEI layer make the optimizing adsorption of intermediates ***,the selectivity of C3 product glyceric acid over Au-NW@PEI is increased by nearly 20%.The work thus indicates that the rational design of metal-organic interface can effectively elevate the electro-activity and selectivity of Au nanostructures,which may have wide application in biomass development.

关键词： Glycerol electrooxidation reaction Organic interface engineering Gold-based nanomaterials Electrocatalysis Selectivity

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A theoretical and experimental study of deformation mechanism dictated by disclination-dislocation coupling in Mg alloys at different temperatures

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材料科学技术（英文版） 2025年第5期208卷 176-188页

作者： Chunfeng Du Yipeng Gao Yizhen Li Quan Li Min Zha Cheng Wang Hailong Jia Hui-Yuan Wang Key Laboratory of Automobile Materials of Ministry of Education&School of Materials Science and Engineering Nanling CampusJilin UniversityChangchun 130025China Key Laboratory of Automobile Materials of Ministry of Education&School of Materials Science and Engineering Nanling CampusJilin UniversityChangchun 130025China International Center of Future Science Jilin UniversityChangchun 130012China International Center of Future Science Jilin UniversityChangchun 130012China State Key Lab of Superhard Materials and Key Laboratory of Material Simulation Methods&Software of Ministry of Education College of PhysicsJilin UniversityChangchun 130012China Key Laboratory of Automobile Materials of Ministry of Education&School of Materials Science and Engineering Nanling CampusJilin UniversityChangchun 130025China International Center of Future Science Jilin UniversityChangchun 130012China State Key Laboratory of Reliability and Intelligence of Electrical Equipment School of Material Science and EngineeringHebei University of TechnologyTianjin 300130China

Dislocations and disclinations are fundamental topological defects within crystals,which determine the mechanical properties of metals and *** their important roles in multiple physical mecha-nisms,e.g.,dynamic recovery and grain boundary mediated plasticity,the intrinsic coupling and corre-lation between disclinations and dislocations,and their impacts on the deformation behavior of metallic materials still remain obscure,partially due to the lack of a theoretical tool to capture the rotational na-ture of *** using a Lie-algebra-based theoretical framework,we obtain a general equation to quantify the intrinsic coupling of disclinations and *** quasi in-situ electron backscat-ter diffraction characterizations and disclination/dislocation density analyses in Mg alloys,the generation,coevolution and reactions of disclinations and dislocations during dynamic recovery and superplastic de-formation have been quantitatively *** has been demonstrated that the obtained governing equa-tion can capture multiple physical processes associated with mechanical deformation of metals,e.g.,grain rotation and grain boundary migration,at both room temperature and high *** establishing the disclination-dislocation coupling equation within a Lie algebra description,our work provides new insights for exploring the coevolution and reaction of disclinations/dislocations,with profound implica-tions for elucidating the microstructure-property relationship and underlying deformation mechanisms in metallic materials.

关键词： Magnesium alloys Dislocations Grain boundaries Plastic deformation Grain rotation Disclination-dislocation coupling

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Strengthening and toughening bulk Ni_(2)CoFeV_(0.5) medium-entropy alloy via thermo-mechanical treatment

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Journal of materials science & Technology 2023年第20期151卷 19-29页

作者： Lei Gu Rui Hou Yi Liu Guang Chen Jihua Liu Gong Zheng Ruisheng Zhang Yonghao Zhao National Key Laboratory of Advanced Casting Technologies MIIT Key Laboratory of Advanced Metallic and Intermetallic Materials TechnologyEngineering Research Center of Materials Behavior and DesignMinistry of EducationNanjing University of Science and TechnologyNanjing 210094China

Single-phase face-centered cubic(fcc)medium-and high-entropy alloys(MEAs/HEAs)have high ductility but low yield *** this work,the microstructures of single-phase fcc Ni_(2)CoFeV_(0.5) MEAs were tailored by cold-rolling and subsequent annealing and typical heterogeneous lamella(HL)structures composed of recrystallized micro-grain lamellae(with an averaged grain size of∼4μm)and nonrecrystallized nano-/ultrafine-grain lamellae were *** tests revealed that most HL samples exhibited excellent strength and ductility *** HL sample with∼23 vol%recrystallized grains annealed at 590℃ for 1 h had a high yield strength of 1120 MPa and a good fracture elongation of 12.3%,which increased by 5%and 46%,respectively compared with those of as-rolled ***-induced yield strength increase is attributed to high-density annealing twin boundaries(TBs)in the recrystallized grains,the annihilation of mobile dislocations inside the non-recrystallized grains,and extra heterodeformation-induced strengthening produced by the HL ***-Petch relationship of Ni_(2)CoFeV_(0.5) MEA can be reasonably described by counting both TBs and grain boundaries,with lattice friction stress of 87.3 MPa and coefficient of 722.8 MPaμm1/*** work provides optional and controllable solutions for preparing MEAs/HEAs with excellent mechanical properties by low-cost and high-efficiency thermomechanical treatments.

关键词： Medium-entropy alloys Microstructures Strength and ductility Heterogeneous lamella structure Cold-rolling Annealing

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Tailoring the microstructural characteristics and enhancing creep properties of as-cast Mg-5Bi-5Sn alloy through Mn addition

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Journal of Magnesium and Alloys 2023年第9期11卷 3350-3361页

作者： Yi-hao Luo Wei-li Cheng Hui Yu Hong-xia Wang Xiao-feng Niu Li-fei Wang Hang Li Zhi-yong You Hua Hou School of Materials Science and Engineering Taiyuan University of TechnologyTaiyuan 030024China Key Laboratory of Interface Science and Engineering in Advanced Materials Ministry of Education Taiyuan University of TechnologyTaiyuan 030024China School of Materials Science and Engineering Hebei University of TechnologyTianjin 300132China School of Materials Science and Engineering North University of ChinaTaiyuan 030051China

The creep properties, microstructural characteristics and creep mechanisms of as-cast Mg-5Bi-5Sn(BT55) alloy without and with Mn(BTM550) addition were investigated via creep at 423, 448, and 473 K as well as stresses of 30, 50 and 75 MPa. The results indicate that adding Mn can result in the formation of primary and the dynamic precipitated α-Mn phases. In addition, the morphology of the precipitated Mg_(3)Bi_(2) phase and the orientation relationship between Mg_(2)Sn precipitates and α-Mg can be effectively modified. Tailoring the microstructural characteristics is responsible for the improved creep performance of BTM550 alloy. The dominant creep mechanisms in BT55 and BTM550 alloys are dislocation cross-slip and climb, respectively. Furthermore, twinning and pyramidal slip play an assisting part in both alloys during creep process.

关键词： Mg alloy Microstructural characteristics Creep properties Precipitates Dislocation

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Strengthening in gradient TiAl alloys

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Journal of materials science & Technology 2023年第35期166卷 98-105页

作者： P.Li Y.Chen X.Liu X.H.Wang F.R.Chen Z.X.Qi G.Zheng H.G.Xiang G.Chen National Key Laboratory of Advanced Casting Technologies MIIT Key Laboratory of Advanced Metallic and Intermetallic Materials TechnologyEngineering Research Center of Materials Behavior and DesignMinistry of EducationNanjing University of Science and TechnologyNanjing210094China

Gradient structure is emerging as an effective strategy to fabricate metals with remarkable mechanical performance,but have not been verified in intermetallic compounds for high-temperature *** experiments and atomic simulations,we show that a typical intermetallic TiAl alloy with gra-dient structure has a significant strengthening effect both at room temperature and high *** room-temperature compressive strength of TiAl alloys with gradient grain obtained by additive man-ufacturing is 2.57 GPa,which is∼2.7 times as strong as that with equiaxed *** strengthening effect is attributed to more sessile dislocations in gradient structure caused by the intersections of mul-tiple slip systems in gradient *** importantly,the strengthening effect is still effective at high temperatures and the compressive strength is 1.28 GPa at 750°*** simulation results show that this strengthening effect is due to the increased Hirth dislocation at high *** study expands the applications of TiAl alloys for load-bearing structures and provides a new strategy for improving the strength of intermetallic compounds at both room temperature and high temperatures.

关键词： TiAl alloys Strengthening Gradient grain Additive manufacturing Molecular dynamics

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