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Microstructure design of advanced magnesium-air battery anodes

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Journal of Magnesium and Alloys 2024年第2期12卷 443-464页

作者： Xu Huang Qingwei Dai Qing Xiang Na Yang Gaopeng Zhang Ao Shen Wanming Li School of metallurgy and materials Engineering Chongqing University of Science and TechnologyChongqing 401331China School of materials and Architectural Engineering Guizhou Normal UniversityGuiyang 550025China School of Material and metallurgy University of Science and Technology LiaoningAnshan 114051China

Metal-air battery is an environmental friendly energy storage system with unique open ***(Mg)and its alloys have been extensively attempted as anodes for air batteries due to high theoretical energy density,low cost,and ***,the study on Mg-air battery(MAB)is still at the laboratory level currently,mainly owing to the low anodic efficiency caused by the poor corrosion *** order to reduce corrosion losses and achieve optimal utilization efficiency of Mg anode,the design strategies are reviewed from microstructure ***,the corrosion behaviors have been discussed,especially the negative difference effect derived by hydrogen *** attention is given to the effect of anode micro-structures on the MAB,which includes grain size,grain orientation,second phases,crystal structure,twins,and *** further improvement,the discharge performance,long period stacking ordered phase and its enhancing effect are ***,given the current debates over Mg dendrites,the potential risk,the impact on discharge,and the elimination strategies are *** control and single crystal would be promising ways for MAB anode.

关键词： Magnesium Air battery Anode Microstructure Anodic efficiency

Experimental and first-principles calculation of TiN growth mechanism on CeAlO_(3) surface in steel

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Journal of Iron and Steel Research International 2024年第2期31卷 452-463页

作者： Fei-hu He Jun Peng Fang Zhang Yong-bin Wang Hong-tao Chang School of materials and metallurgy Inner Mongolia University of Science and TechnologyBaotou014010Inner MongoliaChina

Regular TiN is harmful to the toughness of steel,and its shape and size need to be *** the behavior of TiN precipitation on CeAlO_(3) surfaces is critical for controlling the morphology and formation process of CeAlO_(3)–TiN composite inclusions in the *** results showed that TiN had a square morphology on the CeAlO3 surface,and electron backscatter diffraction phase identification results revealed the orientation relationship between CeAlO_(3) and TiN as follows:(001)_(CeAlO_(3))//(110)_(TiN),(100)_(CeAlO_(3))/(001)_(TiN),and[010]_(CeAlO_(3))/[110]_(TiN).The CeAlO3 crystal structure was studied using the first-principles calculation method,and the adsorption and growth process of TiN on the CeAlO_(3) surface were investigated from the atomic *** calculation results indicate that there is no metallic bonding present in the CeAlO_(3) *** the low-index crystal planes of CeAlO_(3),the(110)planes terminated with O and CeAlO have the highest and lowest surface energies,respectively,with values of 0.373 and 0.051 eV/Å^(2).On the high surface energy plane of CeAlO_(3),the TiN atomic permutation structure is consistent with the arrangement of Ti and N atoms in TiN(100)or(110).For the low surface energy plane of CeAlO_(3),the Ti and N atoms are arranged in a ring-like structure.

关键词： CeAlO_(3)-TiN inclusion Orientation relationship Crystal structure First principle Surface energy

Reaction behavior of MgO refractory with high-Mn and high-Al steel

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Journal of Iron and Steel Research International 2024年第6期31卷 1389-1398页

作者： Ling-zhong Kong Lin Zu Jie Yang Xi-min Zang Xin Yang Ming Kang School of materials and metallurgy University of Science and Technology LiaoningAnshan 114051LiaoningChina

To understand the mechanism of the interfacial reaction between high-Mn and high-Al steel and MgO refractory,a series of laboratory experiments as well as thermodynamic calculations were *** effects of Mn and Al contents in the steel and the reaction time on the interfacial reaction were *** was observed that the erosion of the MgO refractory is caused by the reaction of Al and Mn in the steel with MgO in the refractory,which would lead to the formation of(Mn,Mg)O·Al_(2)O_(3) spinel and(Mn,Mg)O solid *** formation mechanism of the spinel and solid solution is as *** Al in the steel firstly reacts with MgO in the refractory to generate MgO·Al_(2)O_(3) spinel,and then,the spinel reacts with Mn in the steel to form(Mn,Mg)O·Al_(2)O_(3) ***,the MnO in the spinel reacts with the MgO in the inner refractory to form(Mn,Mg)O solid *** addition,only(Mn,Mg)O·Al_(2)O_(3) spinel is present in the interfacial reaction layer of the refractory when the Al content in the steel is sufficient.

关键词： High-Mn high-Al steel MgO refractory Reaction behavior Spinel

Microstructure and properties of coarse-grained WC-10Co cemented carbides with different carbon contents during heat treatments

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Rare Metals 2024年第4期43卷 1786-1792页

作者： Yuan-Feng Xie Xing-Cheng Xie Zhong-Wu Li Rui-Jun Cao Zhong-Kun Lin Qing Li Chen-Guang Lin Powder metallurgy and Special materials Research Department General Research Institute for Nonferrous MetalsBeijing100088China

The effects of cryogenic treatment(CT)and tempering-cryogenic treatment(TCT)on the microstructure and properties of coarse-grained WC-10Co cemented carbides with different carbon contents were *** binder phase,WC mean grain sizes,W solubility in the binder,relative magnetic s aturation,densities,hardness,wear resistance and second phase precipitation of cemented carbides with different heat treatments were *** results show that there are significant changes of microstructure and properties in the samples with CT and TCT,especially due to the precipitation of metastable nanoparticles W_(x)Co_(y)C_(z) in the binder during the heat treatments of CT and *** the simultaneous combination of microstructure and nanoparticle-reinforced binder,a dramatically improved combination of hardness and wear resistance of the samples after TCT has been achieved.

关键词： Cryogenic treatment Tempering Coarsegrained cemented carbide Carbon content Nanoparticlereinforced binder

Enhancing ionic conductivity of garnet-type Nb-doped Li_7La_(3)Zr_(2)O_(12)by cerium doping

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Journal of Rare Earths 2024年第9期42卷 1740-1746,I0004页

作者： Daming Liu Yuan Hou Chaoke Bulin Ruichao Zhao Bangwen Zhang Analytical and Testing Center Inner Mongolia University of Science and TechnologyBaotou014010China School of materials and metallurgy Inner Mongolia University of Science and TechnologyBaotou014010China School of metallurgy and materials Engineering Chongqing University of Science and TechnologyChongqing401331China

We investigated the effect of additional doping with Ce on the ionic conductivity of the Nb-doped Li_7La_(3)Zr_(2)O_(12)(LLZO)garnet ceramics using a combination of experimental and modeling *** results indicate that Ce doping can alter lattice parameters of the LLZNO,leading to the enhanced lithium ionic *** Ce,Nb co-doped LLZO(LLZNCO)structure with composition Li_(6.5)La_(3)Zr_(1.5-x)Nb_(0.5)Ce_(x)O_(12)(x=0.125)exhibits a lower activation energy(E_(a)=0.39 eV)than Li_(6.5)La_(3)Zr_(1.5)Nb_(0.5)O_(12)(LLZNO)(E_(a)=0.41 eV).Furthermore,Ce doping leads to an increase in Li~+conductivity from 6.4×10^(-4)to 7×10^(-4)S/cm at room *** addition,we discuss the diffusivity and conductivity of our samples using ab initio molecular dynamics simulations and propose possible mechanisms to explain the enhanced Li-ion conductivity caused by co-doping with Ce and *** results demonstrate that the LLZNCO ceramics are promising candidates for potential solid-state electrolytes for Li-ion batteries.

关键词： Rare earths Solid state electrolyte Ionic conductivity Doping

Polypyride intercalation boosting the kinetics and stability of V3O7·H2O cathodes for aqueous zinc-ion batteries

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Journal of Energy Chemistry 2024年第10期97卷 361-370页

作者： Qingqing He Jie Bai Mengda Xue Yanxin Liao Huayu Wang Mujun Long Lingyun Chen Department of Applied Chemistry School of Chemistry and Chemical Engineering Chongqing University Laboratory of materials and metallurgy College of Materials Science and Engineering Chongqing University

V3O7·H2O（VO） is a high capacity cathode material in the field of aqueous zinc ion batteries（AZIBs）,but it is limited by slow ion migration and low electrical *** this paper,polypyridine（PPyd） intercalated VO with nanoribbon structure was prepared by a simple in-situ pre-intercalation,which is noted *** total density of states（TDOS） shows that after the pre-intercalation of PPyd,an intermediate energy level appears between the valence band and conduction band,which provides a step that can effectively reduce the band gap and enhance the electron ***,the density functional theory（DFT） results found that Zn2+is more easily de-intercalated from the V-O skeleton,which proves that the embeddedness of PPyd improves the diffusion kinetics of Zn2+.Electrochemical studies have shown that VO-PPyd cathode materials exhibit excellent rate performance(high specific capacity of 465 and 192 mA h g-1at 0.2 and 10 A g-1,respectively) and long-term cycling performance（92.7%capacity retention rate after 5300 cycles）,due to their advantages in structure and *** importantly,the energy density of VO-PPyd//Zn at 581 and 5806 W kg-1is 375 and 247 W h kg-1,***-PPyd exhibits excellent electrochemical properties compared to previously reported vanadium based cathodes,which makes it highly competitive in the field of high-performance cathode materials of AZIBs.

关键词： Aqueous zinc ion batteries DFT calculation Electrical conductivity Ion migration Polypyridine V3O7·H2O

Crystal structure,phase transitions,and thermodynamic properties of magnesium metavanadate(MgV_(2)O_(6))

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Journal of Magnesium and Alloys 2024年第4期12卷 1449-1460页

作者： Guishang Pei Cheng Pan Dapeng Zhong Junyi Xiang Xuewei Lv College of materials Science and Engineering Chongqing UniversityChongqing 400044China Chongqing Key Laboratory of Vanadium-Titanium metallurgy and Advanced materials Chongqing UniversityChongqing 400044China Pangang group Research Institute Co. Ltd.Panzhihua 617000China

As a promising anode material for magnesium ion rechargeable batteries,magnesium metavanadate(MgV_(2)O_(6))has attracted considerable research interest in recent years.A MgV_(2)O_(6)sample was synthesized via a facile solid-state reaction by multistep-firing stoichiometric mixtures of MgO and V2O5 powder under an air *** solid-state phase transition fromα-MgV_(2)O_(6)toβ-MgV_(2)O_(6)occurred at 841 K and the enthalpy change was 4.37±0.04 kJ/*** endothermic effect at 1014 K and the enthalpy change was 26.54±0.26 kJ/mol,which is related to the incongruent melting ofβ-MgV_(2)O_(6).In situ XRD was performed to investigate phase transition of the as-prepared MgV_(2)O_(6)at high *** cell parameters obtained by Rietveld refinement indicated that it crystallizes in a monoclinic system with the C2/m space group,and the lattice parameters of a=9.280 A°,b=3.501 A°,c=6.731 A°,β=111.76°.The solid-state phase transition fromα-MgV_(2)O_(6)toβ-MgV_(2)O_(6)was further studied by thermal kinetics,indicating that this process is controlled first by a fibril-like mechanism and then by a spherulitic-type mechanism with an increasing heating ***,the enthalpy change of MgV_(2)O_(6)at high temperatures was measured utilizing the drop calorimetry,heat capacity was calculated and given as:Cp=208.3+0.03583T-4809000T^(−2)(298-923 K)(J mol^(−1)K^(−1)),the high-temperature heat capacity can be used to calculate Gibbs free energy of MgV_(2)O_(6)at high temperatures.

关键词： MgV_(2)O_(6) Crystal structure Phase transitions Thermodynamic functions

Ferroelectricity Induced by Oxygen Vacancies in Rhombohedral ZrO2 Thin Films

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Energy & Environmental materials 2024年第1期7卷 233-241页

作者： Veniero Lenzi José P.B.Silva Physics Center of Minho and Porto Universities (CF-UM-UP) University of Minho Laboratory of Physics for materials and Emergent Technologies Lap METUniversity of Minho National Institute of materials Physics Department of materials Science and metallurgy

Rhombohedral phase HfxZr1-xO2（HZO,x from 0 to 1） films are promising for achieving robust ferroelectric polarization without the need for an initial wake-up pre-cycling,as is normally the case for the more commonly ... 详细信息

关键词： charged defects ferroelectric polarization rhombohedral phase stability zirconia

Irregular initial solidification by mold thermal monitoring in the continuous casting of steels:A review

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International Journal of Minerals,metallurgy and materials 2024年第5期31卷 1003-1015页

作者： Qiuping Li Guanghua Wen Fuhang Chen Ping Tang Zibing Hou Xinyun Mo College of materials Science and Engineering Chongqing UniversityChongqing 400044China Chongqing Key Laboratory of Vanadium-Titanium metallurgy and New materials Chongqing UniversityChongqing 400044China

Occasional irregular initial solidification phenomena,including stickers,deep oscillation marks,depressions,and surface cracks of strand shells in continuous casting molds,are important limitations for developing the high-efficiency continuous casting of *** application of mold thermal monitoring(MTM) systems,which use thermocouples to detect and respond to temperature variations in molds,has become an effective method to address irregular initial solidification *** systems are widely applied in numerous steel companies for sticker breakout ***,monitoring the surface defects of strands remains ***,indepth research is necessary to utilize the potential advantages and comprehensive monitoring of MTM *** paper summarizes what is included in the irregular initial solidification phenomena and systematically reviews the current state of research on these phenomena by the MTM ***,the influences of mold slag behavior on monitoring these phenomena are ***,the remaining problems of the formation mechanisms and investigations of irregular initial solidification phenomena are discussed,and future research directions are proposed.

关键词： irregular initial solidification mold thermal monitoring continuous casting mold slag thermocouple