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Defect engineering in molybdenum-based electrode materials for energy storage

eScience 2022年第3期2卷 278-294页

作者： Weixiao Wang Fangyu Xiong Shaohua Zhu Jinghui Chen Jun Xie Qinyou An State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070China State Key Laboratory of Silicate Materials for Architectures Wuhan University of TechnologyWuhan430070China Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Foshan528200China

Molybdenum-based materials have stepped into the spotlight as promising electrodes for energy storage systems due to their abundant valence states,low cost,and high theoretical ***,the performance of conventional molybdenum-based electrode materials has been limited by slow diffusion dynamics and deficient *** defect engineering to molybdenum-based electrode materials is a viable method for overcoming these intrinsic limitations to realize superior electrochemical performance for energy ***,we systematically review recent progress in defect engineering for molybdenum-based electrode materials,including vacancy modulation,doping engineering,topochemical substitution,and *** particular,the essential optimization mechanisms of defect engineering in molybdenum-based electrode materials are pre-sented:accelerating ion diffusion,enhancing electron transfer,adjusting potential,and maintaining structural *** also discuss the existing challenges and future objectives for defect engineering in molybdenum-based electrode materials to realize high-energy and high-power energy storage devices.

关键词： Energy storage Molybdenum-based electrode materials Defect engineering

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Long-term Properties of Aeolian Sand-magnesium Oxychloride Cement Composites and Its Engineering Application

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Journal of Wuhan University of technology(materials Science) 2023年第4期38卷 842-848页

作者：常成功 DONG Jinmei ZHENG Weixin WEN Jing 阎峰云肖学英 AN Lingyun State Key Laboratory of Advanced Processing and Recycling of Non-ferrous Metals Lanzhou University of TechnologyLanzhou730050China Key Laboratory of Comprehensive and Highly Efficient Utilization of Salt Lake Resources Qinghai Institute of Salt LakeChinese Academy of SciencesXining810008China Key Laboratory of Salt Lake Resources Chemistry of Qinghai Province Xining810008China Qinghai Provincial Key Laboratory of Nanomaterials and Technology College of Physics and Electronic Information EngineeringQinghai Minzu UniversityXining810007China

In order to prepare a new material with long-term stable performance,low cost,easy construction,and ecological environmental protection,the influence of aeolian sand on the compressive and flexural strength as well as micro morphology and phase composition of magnesium oxychloride cement(MOC)was *** experimental results indicate that,with the increase of content of doping sand,the compressive strength and flexural strength of MOC decrease ***,when the quality ratio of aeolian sand and light burned magnesia powder is 1:8,the performance meets the actual engineering ***,the compressive strength of MOC is not less than 18 MPa,and flexural strength is not less than 4 ***,within 12 months of age,the compressive strength and flexural strength are *** is no obvious change in phase composition,and its main phase is still 5·1·8 *** appearance changes from needle-like to gel-like *** on engineering applications,it is found that when the novel sand-fixing material is used in the field for one year,its macroscopic feature is not damaged,compressive strength and flexural strength are also more stable,phase composition negligibly changes,and micro morphology has also been turned into be gellike *** further confirm the long-term stability and weather resistance of MOC doping aeolian sand,providing theoretical and technical support for the widely application of MOC in the field of sand fixation in the future.

关键词： magnesium oxychloride cement aeolian sand mechanical properties micro morphology phase composition

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A novel medium-entropy(TiVNb)_(2)AlC MAX phase:Fabrication,microstructure,and properties

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Journal of materials Science & technology 2023年第6期137卷 91-99页

作者： Guangqi He Yi Zhang Pei Yao Xingchao Li Ke Ma Jun Zuo Meishuan Li Changsheng Liu Jingjun Xu School of Materials Science and Engineering Northeastern UniversityShenyang 110819China Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and Engineering University of Science and Technology of ChinaShenyang 110016China Science and Technology on Advanced Functional Composites Laboratory Aerospace Research Institute of Material and Processing TechnologyBeijing 100076China

Medium-or high-entropy materials have great potential for applications due to their diverse compo-sitions and unexpected physicochemical ***,a novel medium-entropy(TiVNb)_(2)AlC was synthesized via hot pressing at 1400℃from three individual M_(2)AlC(M=Ti,V,Nb)MAX *** microstructure of(TiVNb)_(2)AlC was characterized from the microscale to the atomic scale by scanning electron microscope microscopy(SEM),scanning transmission electron microscopy(STEM),and energy dispersive spectroscopy(EDS).The results showed that Ti,V,and Nb atoms were fully solid-soluble in the M-sites of the M_(2)AlC MAX *** with three individual MAX phases,the thermal conduc-tivity of(TiVNb)_(2)AlC was reduced greatly in the temperature range of 293-1473 K,and its mechanical properties(including Young’s modulus,Vickers hardness,and bending strength)were all increased due to the solid solution strengthening and electronic mechanism.

关键词： Medium-entropy ceramics MAX phases Microstructure Thermal properties Mechanical properties

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Effect of electrochemical hydrogen charging on the microstructure and mechanical behavior of a duplex structured Mg-8wt.%Li alloy

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Journal of Magnesium and Alloys 2025年第2期13卷 668-680页

作者： Shuo Wang Daokui Xu Baojie Wang Dongliang Wang Zhiqiang Zhang Li Liu Jie Chen Key Lab of Electromagnetic Processing of Materials Ministry of EducationNortheastern UniversityShenyang110819China Key Laboratory of Nuclear Materials and Safety Assessment Institute of Metal ResearchChinese Academy of SciencesShenyang110016China Engineering Research Center of Advanced Materials Preparing Technology Ministry of EducationNortheastern UniversityShenyang110819China Binzhou Institute of Technology BinzhouShandong Province256606China Shandong Key Laboratory of Advanced Aluminium Materials and Technology BinzhouShandong Province256606China School of Environmental and Chemical Engineering Shenyang Ligong UniversityShenyang110159China Spallation Neutron Source Science Center Dongguan523803China

In this work,through performing microstructural characterization,tensile testing and failure analysis,the influence of electrochemical hydrogen charging on the microstructure and mechanical behavior of an as-cast Mg-8wt.%Li alloy was *** revealed that after being hydrogen charged at 50 mA/cm2 for respectively 3 h,6 h and 18 h in 0.1 M NaCl solution,obvious HID occurred and the damage degree was gradually increased with the hydrogen charging *** the sample being hydrogen charged for 3 h,micro pores with the diameter ranging from 10~30µm were formed and preferentially present inα-Mg ***,micro cracks with the length ranging from 10~50µm mainly initiated inα-Mg phase,atα-Mg/β-Li interfaces and the peripheries of *** the increase of hydrogen charging time,the numbers of pores and cracks were obviously *** results revealed that the hydrogen charging can simultaneously decrease the tensile strength and ductility of the *** with the uncharged sample,the tensile yield strength,ultimate tensile strength and the elongation ratio to failure were respectively reduced by 5.7%,7.3%,31.7%for the 3h-charged sample and 24.6%,24.8%,67.0%for the 18h-charged *** analysis indicated that hydrogen charging can induce the brittle cracking of the alloy and the size of brittle cracking region being composed of quasi-cleavage facets and interfacial cracks on the fracture surfaces was increased with the hydrogen charging time.

关键词： Magnesium-lithium alloy Microstructure Hydrogen-induced damage Hydrogen embrittlement Mechanical behavior

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Peridynamic Modeling of Brittle Fracture in Mindlin-Reissner Shell Theory

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Computer Modeling in Engineering & Sciences 2022年第5期131卷 715-746页

作者： Sai Li Xin Lai Lisheng Liu Department of Engineering Structure and Mechanics Wuhan University of TechnologyWuhan430070China Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics Wuhan University of TechnologyWuhan430070China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070China

In this work,wemodeled the brittle fracture of shell structure in the framework of Peridynamics Mindlin-Reissener shell theory,in which the shell is described by material points in themean-plane with its drilling rotation neglected in kinematic *** improve the numerical accuracy,the stress-point method is utilized to eliminate the numerical instability induced by the zero-energy mode and *** crack surface is represented explicitly by stress points,and a novel general crack criterion is proposed based on *** of the critical stretch used in common peridynamic solid,it is convenient to describe thematerial failure by using the classic constitutive model in continuum *** this work,a concise crack simulation algorithm is also provided to describe the crack path and its development,in order to simulate the brittle fracture of the shell *** examples are presented to validate and demonstrate our proposed *** reveal that our model has good accuracy and capability to represent crack propagation and branch spontaneously.

关键词： Peridynamic brittle fracture Reissner-Mindlin shell theory

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Effect of initial orientation on microstructure and mechanical properties of AZ31 Mg alloy sheets via accumulated extrusion bonding

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Progress in Natural Science:materials International 2023年第2期33卷 178-184页

作者： Xia Cao Tingzhuang Han Ji Xu Guangsheng Huang Hua Zhang Jianhui Bai Fusheng Pan Department of Mechanics and Surface Engineering Changzhou Institute of Technology Department of Aviation Manufacturing Engineering Changzhou Institute of Technology State Key Laboratory of Solidification Processing School of Materials Science & Engineering Northwestern Polytechnical University State Key Laboratory of Mechanical Transmission College of Materials Science and Engineering Chongqing University Institute for Advanced Studies in Precision Materials Yantai University

In this study, effects of initial orientation on microstructure evolution and mechanical properties of AZ31 Mg alloy sheets via accumulated extrusion bonding(AEB) was systematically studied. The samples with RD and TD parallel to extrusion direction(ED) were labeled as RED and TED, respectively. RD and TD pieces alternately stacked was named as RTED. The results revealed that under three-dimensional compressive stress, {10-12} tensile twinning dominated the first stage deformation in container. As the plunger continuous press down, dynamic recrystallization(DRX) occurred, and the newly fine DRXed grains along original and twin grain boundaries gradually consumed the matrix and twin grains. The microstructure was completely transformed into recrystallized grain structure at sizing band with an average grain size of ～0.9 μm in TED sample, smaller than that of RED *** the alloys extruded out of the die, DRXed grains significantly grew to ～4.5 μm and 3.5 μm for RED and TED samples, respectively. A laminated microstructure was obtained with average grain sizes of～4.4 μm in RD layers and 3.5 μm in TD layers for RTED sample. The AEB processed samples exhibited an ED-tilt double-peak basal texture with similar texture intensity. The tensile tests results indicated that attributed to the combined effect of grain refinement and texture evolution, the yield strength and fracture elongation of RED and TED samples was significantly improved. The heterogeneous microstructure in RTED sample induced an extra work hardening(HDI-work hardening) in tensile deformation and resulted in a further improved elongation of 32.0%.

关键词： Magnesium alloy Accumulated extrusion bonding Initial orientation Microstructure Texture Mechanical properties

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The highest melting point material:Searched by Bayesian global optimization with deep potential molecular dynamics

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Journal of advanced Ceramics 2023年第4期12卷 803-814页

作者： Yinan Wang Bo Wen Xingjian Jiao Ya Li Lei Chen Yujin Wang Fu-Zhi Dai Artificial Intelligence for Science Institute Beijing 100084China Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials&Processing TechnologyBeijing 100076China College of Computer Science and Technology Heilongjiang Institute of TechnologyHarbin 150001China Institute for Advanced Ceramics School of Materials Science and EngineeringHarbin Institute of TechnologyHarbin 150001China Key Laboratory of Advanced Structural-Functional Integration Materials&Green Manufacturing Technology Harbin Institute of TechnologyHarbin 150001China DP Technology Bejing 100080China

The interest in refractory materials is increasing rapidly in recent decades due to the development of hypersonic ***,the substance that has the highest melting point(Tm)keeps a secret,since precise measurements in extreme conditions are overwhelmingly *** the present work,an accurate deep potential(DP)model of a Hf-Ta-C-N system was first trained,and then applied to search for the highest melting point material by molecular dynamics(MD)simulation and Bayesian global optimization(BGO).The predicted melting points agree well with the experiments and confirm that carbon site vacancies can enhance the melting point of rock-saltstructure *** solid solution with N is verified as another new and more effective melting point enhancing approach for HfC,while a conventional routing of the solid solution with Ta(e.g.,HfTa_(4)C_(5))is not suggested to result in a maximum melting *** highest melting point(~4236 K)is achieved with the composition of HfCo.638No.271,which is~80 K higher than the highest value in a Hf-C binary *** mechanism of the N addition is believed to be unstable C-N and N-N bonds in liquid phase,which reduces liquid phase entropy and renders the liquid phase less *** improved melting point and less gas generation during oxidation by the addition of N provide a new routing to modify thermal protection materials for the hypersonic vehicles.

关键词： melting point(T_(m)) carbides carbonitrides deep potential(DP) Bayesiannglobal optimization(BGO)

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Seamlessly Merging the Capacity of P into Sb at Same Voltage with Maintained Superior Cycle Stability and Low-temperature Performance for Li-ion Batteries

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Energy & Environmental materials 2023年第2期6卷 195-201页

作者： Yaqing Wei Jun He Jie Zhang Mingyang Ou Yanpeng Guo Jiajun Chen Cheng Zeng Jia Xu Jiantao Han Tianyou Zhai Huiqiao Li State Key Laboratory of Materials Processing and Die&Mould Technology School of Materials Science and EngineeringHuazhong University of Science and Technology(HUST)Wuhan 430074China State Key Laboratory of Marine Resource Utilization in South China Sea Hainan Provincial Key Laboratory of Research on Utilization of Si-Zr-Ti ResourcesCollege of Materials Science and EngineeringHainan UniversityHaikou 570228China Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) Nankai UniversityTianjin 300071China

Among the alloying-type anodes,elemental Sb possesses the suitable yet safe plateau,simple lithiation pathway,small voltage polarization,high conductivity,and superior cycle ***,challenge is that its intrinsic capacity is rather low(660 mAh g^(-1)),<1/6 of ***,we propose a seamless integration strategy by merging the voltage and capacity of phosphorus and antimony into a solid solution ***,the enlistment of P is found greatly enlarge the capacity from 660 to 993 mAh g^(-1) for such Sb_(30)P_(30) solid solution,while maintaining a single and stable discharge plateau(~0.79 V)similar to elemental *** experimental characterizations including XPS,PDF,Raman,and EDS mapping reveal that in such a material the P and Sb atoms have interacted with each other to form a homogenous solid solution alloy,rather than a simple mixing of the two ***,the Sb_(30)P_(30) exhibits superior rate performances(807 mAh g^(-1) at 5000 mA g^(-1))and cyclability(821 mAh g^(-1) remained after 300 cycles).Furthermore,such Sb_(60-x)P_(x) alloys can even deliver 621 mAh g^(-1) at30℃,which can be served as the alternative anode materials for high-energy and low-temperature *** unique seamless integration strategy based on solid solution chemistry can be easily leveraged to manipulate the capacity of other electrode materials at similar voltage.

关键词： alloy anode antimony lithium-ion batteries low-temperature performance phosphorus

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Formation mechanisms of Ti_(3)(Si,Al)C_(2)/Al_(2)O_(3) composites from Ti_(3)AlC_(2) and SiO via low-temperature sintering

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Journal of advanced Ceramics 2023年第1期12卷 93-110页

作者： Zhenyu ZHANG Jun JI Yingying CHEN Deli MA Sique CHEN Hailing YANG Guopu SHI Zhi WANG Mengyong SUN Fei CHEN Shifeng HUANG Qinggang LI Shandong Provincial Key Laboratory of Preparation and Measurement of Building Materials University of JinanJinan 250022China School of Materials Science and Engineering University of JinanJinan 250022China Institute of China North Industries Group Yantai 264003China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

Ti_(3)SiC_(2)/Al_(2)O_(3) composites have attracted attention due to their excellent mechanical and electromagnetic properties,but the high temperatures(≥1400℃)required for the densification of aluminum oxide(Al_(2)O_(3))leads to the decomposition of Ti_(3)SiC_(2).To address this issue,Ti_(3)(Si_(x)Al_(1−x))C2/Al_(2)O_(3)(x represents the Si content)composites were synthesized for the first time via hot-pressing(HP)sintering and current-assisted sintering(CAS)of mixed Ti_(3)AlC_(2) and silicon monoxide(SiO)powders at 1300 and 1200℃,*** approaches produced composites with x values greater than 0.9,indicating that the compositions of the prepared composites were similar to those of Ti_(3)SiC_(2)/Al_(2)O_(3) *** synthetic mechanism involved substitution and continuous interdiffusion of Al and Si *** composite prepared by CAS at 1200℃ was compacted,whereas the composite prepared by HP had a low *** low-temperature densification mechanism is attributed to the combined effects of amorphous SiO,liquid Al,and the high heating rates for *** flexural strength and hardness of the composite prepared by CAS were also comparable to those of compacted Ti_(3)SiC_(2)/Al_(2)O_(3) composites.

关键词： aluminum oxide(Al_(2)O_(3)) current-assisted sintering(CAS) silicon monoxide(SiO) Ti_(3)(Si Al)C_(2)

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MOF-derived ZrO_(2)/C-polyvinylidene fluoride composite towards negative permittivity regulation mechanism

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Journal of materials Science & technology 2024年第12期179卷 50-56页

作者： X.T.Song G.H.Fan Y.Liu R.H.Fan Key Laboratory for Liquid-Solid Structural Evolution and Processing of Materials(Ministry of Education) Jinan 250061China Institute of Advanced Electrical Materials Qingdao University of Science&TechnologyQingdao 266042China College of Ocean Science and Engineering Shanghai Maritime UniversityShanghai 201306China

Composites featuring negative permittivity have garnered significant attention for their potential in novel capacitance designs,coil-less electrical inductors,and electromagnetic shielding *** this study,we prepared polyvinylidene fluoride(PVDF)matrix composites filled with ZrO_(2)/C nanoparticles de-rived from metal-organic frameworks(MOFs)via a hot-pressing *** an increase in the ZrO_(2)/C content to 30 wt.%,electrical percolation was observed,accompanied by a transition mechanism from hopping conduction to metal-like *** enabled the realization of ZrO_(2)/C/PVDF composites with tailorable negative permittivity properties,attributed to the plasmonic oscillation of free electrons in the composites beyond the percolation threshold(30 wt.%).Furthermore,the permittivity transition along to a shift in the electrical behavior of the percolative composites from capacitive to *** explored the regulatory mechanism behind the negative permittivity in this random composite system,and our findings highlight the potential of these tunable negative permittivity media as promising candi-dates for diverse electromagnetic applications.

关键词： Negative permittivity Electrical properties Plasma oscillation Polymeric composites

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