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Revealing the role of electrode potential micro-environments in single Mn atoms for carbon dioxide and oxygen electrolysis

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Nano Research 2024年第9期17卷 7957-7966页

作者： Pengcheng Liu anyi Liu Kaili Wang Shuai Shi Mengmeng Jin Jingxiu Liu Tao Qin Qian Liu Xijun Liu Jia He Tianjin Key Laboratory of Organic Solar Cells and Photochemical Conversion School of Chemistry and Chemical EngineeringInstitute of New-Energy Materials and Low-Carbon TechnologiesSchool of Materials Science and EngineeringTianjin University of TechnologyTianjin 300384China School of Chemistry and Chemical Engineering and Environmental Engineering Weifang UniversityWeifang 261061China Department of Electrical Engineering and Automation Luoyang Institute of Science and TechnologyLuoyang 471023China Institute for Advanced Study Chengdu UniversityChengdu 610106China State Key Laboratory of Featured Metal Materials and Life-cycle Safety for composite structures Guangxi Key Laboratory of Processing for Non-ferrous Metals and Featured MaterialsSchool of ResourcesEnvironment and MaterialsGuangxi UniversityNanning 530004China

Elucidation the relationship between electrode potentials and heterogeneous electrocatalytic reactions has attracted widespread *** we construct the well-defined Mn single-atom(MnSA)catalyst with four N-coordination through a simple thermal pyrolysis preparation method to investigate the electrode potential micro-environments effect on carbon dioxide reduction reactions(CO_(2)RR)and oxygen reduction reactions(ORR).MnSA catalysts generate higher CO production Faradaic efficiency of exceeding 90%at-0.9 V for CO_(2)RR and higher H_(2)O_(2)yield from 0.1 to 0.6 V with excellent ORR *** functional theory(DFT)calculations based on constant potential models were performed to study the mechanism of MnSA on CO_(2)*** thermodynamic energy barrier of CO_(2)RR is lowest at-0.9 V *** hydrogen electrode(RHE).Similar DFT calculations on the H_(2)O_(2)yield of ORR showed that the H_(2)O_(2)yield at 0.2 V was *** study provides a reasonable explanation for the role of electrode potential micro-environments.

关键词： electrode potential micro-environments Mn single-atom catalyst carbon dioxide reduction reaction oxygen reduction reaction constant potential models

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THE BASIC SOLUTION OF A 3-D RECTANGULAR PERMEABLE CRACK IN A PIEZOELECTRIC/PIEZOMAGNETIC composite MATERIAL

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Acta Mechanica Solida Sinica 2013年第4期26卷 403-418页

作者： Yuling Tang Zhengong Zhou Linzhi Wu Center for composite Materials and structures Harbin Institute of Technology

The solution of a 3-D rectangular permeable crack in a piezoelectric/piezomagnetic composite material was investigated by using the generalized Almansi＇s theorem and the Schmidt *** problem was formulated through Fourier transform into three pairs of dual integral equations,in which the unknown variables are the displacement jumps across the crack *** solve the dual integral equations,the displacement jumps across the crack surfaces were directly expanded as a series of Jacobi ***,the relations between the electric filed,the magnetic flux field and the stress field near the crack edges were obtained and the effects of the shape of the rectangular crack on the stress,the electric displacement and magnetic flux intensity factors in a piezoelectric/piezomagnetic composite material were analyzed.

关键词： piezoelectric/piezomagnetic media rectangular crack mechanics of solids

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FREE VIBRATION ANALYSIS OF LATTICE SANDWICH BEAMS UNDER SEVERAL TYPICAL BOUNDARY CONDITIONS

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Acta Mechanica Solida Sinica 2013年第5期26卷 458-467页

作者： Jia Lou Bing Wang Li Ma Linzhi Wu Center for composite Materials and structures Harbin Institute of Technology

Free vibration problems of lattice sandwich beams under several typical boundary conditions are investigated in the present paper. The lattice sandwich beam is transformed to an equivalent homogeneous three-layered sandwich beam. Unlike the traditional analytical model in which the rotation angles of the face sheets and the core are assumed the same, different rotation angles are considered in this paper to characterize the real response of sandwich beams. The analytical solutions of the natural frequencies for several typical boundary conditions are obtained. The effects of material properties and geometric parameters on the natural frequencies are also investigated.

关键词： vibration composites lattice materials beam analytical method

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Effect of Ball Milling Time on Microstructure and Hydrogen Storage Properties of Nd_(5)Mg_(41)Ni Alloy

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Acta Metallurgica Sinica(English Letters) 2024年第7期37卷 1201-1214页

作者： Zeming Yuan Chenxu Liu Xiaoming Li Yongqi Sui Zhonggang Han Tingting Zhai Dianchen Feng Yanghuan Zhang Instrumental Analysis Center Inner Mongolia University of Science and TechnologyBaotou014010China Department of Functional Material Research Central Iron and Steel Research InstituteBeijing100081China

Mg-based alloys must be dehydrogenated at high pressure and temperatures, limiting their practical application. In this paper, Nd_(5)Mg_(41)Ni alloy was prepared by vacuum melting, and the as-cast alloy was ball milled for 5 h, 10 h, 15 h, and 20 h. The effect of ball milling time on the microstructure and hydrogen storage properties of the alloy was systematically studied. The alloy comprises Nd_(5)Mg_(41), NdMg_(12), NdMg_(3), and Mg_(2)Ni phases. The Nd_(5)Mg_(41)Ni alloy milling for 10 h can reach 95% of the saturated hydrogen absorption at 553 K by 40 s, and the alloy can desorb hydrogen only by 20 min. The dehydrogenation activation energy is only 99.9 kJ/mol H_(2). Ball milling makes the alloy produce many nanocrystalline and amorphous structures. The nano-grain boundary provides a channel for the diffusion of hydrogen atoms, and the high energy at the grain boundary provides energy for the phase deformation nucleus. Ball milling leads to the refinement of alloy particles and shortens the diffusion distance of hydrogen atoms to the interior of alloy particles. Defects such as twins and dislocations generated by milling provide energy for the phase deformation nucleus during the hydrogen absorption and desorption.

关键词： Hydrogen storage materials Magnesium-base alloy Ball milling Nanocrystal Kinetics

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A robust and efficient structural reliability method combining radial-based importance sampling and Kriging

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Science China(Technological Sciences) 2018年第5期61卷 724-734页

作者： XIONG Bo TAN HuiFeng Center for composite Materialsa nd structures Harbin Institute of Technology

Simulation based structural reliability analysis suffers from a heavy computational burden, as each sample needs to be evaluated on the performance function, where structural analysis is performed. To alleviate the computational burden, related research focuses mainly on reduction of samples and application of surrogate model, which substitutes the performance function. However,the reduction of samples is achieved commonly at the expense of loss of robustness, and the construction of surrogate model is computationally expensive. In view of this, this paper presents a robust and efficient method in the same direction. The present method uses radial-based importance sampling (RBIS) to reduce samples without loss of robustness. Importantly, Kriging is fully used to efficiently implement RBIS. It not only serves as a surrogate to classify samples as we all know, but also guides the procedure to determine the optimal radius, with which RBIS would reduce samples to the highest degree. When used as a surrogate, Kriging is established through active learning, where the previously evaluated points to determine the optimal radius are reused. The robustness and efficiency of the present method are validated by five representative examples, where the present method is compared mainly with two fundamental reliability methods based on active learning Kriging.

关键词： structural reliability simulation radial-based importance sampling Kriging active learning

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Influence of oxygen-rich hot air composite gas medium on sintering performance and function mechanism

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Journal of Iron and steel Research International 2024年第5期31卷 1071-1081页

作者： Min Gan Hao-xiang Zheng Xiao-hui Fan Zhi-yun Ji Qiang Li Ming Wu Yi-fan Wang Xiao-long Wang Yu-feng Wu Xu-ling Chen Zeng-qing Sun Xiao-xian Huang School of Minerals Processing and Bioengineering Central South UniversityChangsha410083HunanChina Shanxi Taigang Stainless steel Co. Ltd.Taiyuan030003ShanxiChina

Hot air sintering technology is used to improve the quality and production efficiency of sintered ***,the current thick layer condition highlights the disadvantage of the low oxygen potential of the hot air sintering ***,it is considered to use oxygen enrichment sintering to improve the environment of hot air *** sintering,hot air sintering,and oxygen-rich hot air sintering were compared through sintering cup experiments,and the influence of hot air and oxygen-rich hot air on sintering indexes was *** air reduced the vertical sintering velocity,while improved the yield and tumbler ***-rich hot air sintering contributed to improving the vertical sintering velocity while ensuring the quality of sintered ore,thus comprehensively improving production *** the action of hot air,the highest temperature of the sintering layer increased and the high-temperature holding time was *** oxygen enrichment,the combustion efficiency of fuels in the upper layer of materials was promoted,which optimized heat distribution in the middle and lower layers of materials and increased the content of calcium ferrite in the sintered ore,thus strengthening the sintering process.

关键词： Iron ore sintering Hot air sintering Oxygen enrichment Function mechanism

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Research on the macro-and meso-mechanical properties of frozen sand mold based on Hertz-Mindlin with Bonding model

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Particuology 2024年第5期88卷 176-191页

作者： Jianpei Shi Zhongde Shan Haoqin Yang College of Mechanical and Electrical Engineering Nanjing University of Aeronautics and AstronauticsNanjing 210016China State Key Laboratory of Mechanics and Control of Mechanical structures Nanjing University of Aeronautics and AstronauticsNanjing 210016China College of Material Science and Technology Nanjing University of Aeronautics and AstronauticsNanjing 210016China

In this study,macro-and meso-mechanical properties of frozen sand molds were discussed based on the Hertz-Mindlin with Bonding(HMB)***-Burman,steepest ascent,and central composite designs were utilized to propose a parameter calibration *** effects of mesoscopic parameter variations on the compressive strength and average gradient of stress-strain were investigated through response surface method *** showed that the relative error between the simulated and measured repose angle is 3.1%under calibrated intrinsic contact *** compressive strength and average stress-strain gradient primarily depend on the normal and shear stiffness per unit area,as well as the particle size and porosity of the silica ***,taking load-displacement curves of three frozen sand molds with different geometric characteristics as the target value,the reliability and effectiveness of the frozen sand mold HMB model were verified through uniaxial compression tests and discrete element simulations.

关键词： Frozen sand mold Hertz-Mindlin with Bonding model Uniaxial compression test Discrete element method Mechanical properties

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Ground motion spatial variability effects on seismic response control of cable-stayed bridges

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Earthquake Engineering and Engineering Vibration 2011年第1期10卷 37-49页

作者： Shehata E. Abdel Raheem Toshiro Hayashikawa Uwe Dorka Civil Engineering Department Faculty of Engineering Assiut University Bridge and Structural Design Engineering Hokkaido University steel & composite structures Kassel Universitt

The spatial variability of input ground motion at supporting foundations plays a key role in the structural response of cable-stayed bridges （CSBs）; therefore, spatial variation effects should be included in the analysis and design of effective vibration control systems. The control of CSBs represents a challenging and unique problem, with many complexities in modeling, control design and implementation, since the control system should be designed not only to mitigate the dynamic component of the structural response but also to counteract the effects of the pseudo-static component of the response. The spatial variability effects on the feasibility and efficiency of seismic control systems for the vibration control of CSBs are investigated in this paper. The assumption of uniform earthquake motion along the entire bridge may result in quantitative and qualitative differences in seismic response as compared with those produced by uniform motion at all supports. A systematic comparison of passive and active system performance in reducing the structural responses is performed, focusing on the effect of the spatially varying earthquake ground motion on the seismic response of a benchmark CSB model with different control strategies, and demonstrates the importance of accounting for the spatial variability of excitations.

关键词： cable-stayed bridge vibration control earthquake spatial variation seismic design semi-active control

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Structural and Ferroelectric Transition in Few-Layer HfO_(2) Films by First Principles Calculations

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Chinese Physics Letters 2024年第8期41卷 94-106页

作者： Ruiling Gao Chao Liu Bowen Shi Yongchang Li Bing Luo Rui Chen Wenbin Ouyang Heng Gao Shunbo Hu Yin Wang Dongdong Li Wei Ren Materials Genome Institute State Key Laboratory of Advanced Special SteelShanghai Key Laboratory of High Temperature SuperconductorsInternational Center of Quantum and Molecular StructuresPhysics DepartmentInstitute for the Conservation of Cultural HeritageShanghai UniversityShanghai 200444China Hefei National Research Center for Physical Sciences at the Microscale University of Science and Technology of ChinaHefei 230026China Shanghai World Foreign Language Academy Shanghai 200233China Key Laboratory of Silicate Cultural Relics Conservation(Ministry of Education) Shanghai UniversityShanghai 200444China Hongzhiwei Technology(Shanghai)Co. Ltd.Shanghai 201206China Zhangjiang Laboratory Shanghai 201210China

The discovery of ferroelectricity in HfO_(2)-based materials with high dielectric constant has inspired tremendous research interest for next-generation electronic ***,films structure and strain are key factors in exploration of ferroelectricity in fluorite-type oxide HfO_(2) *** we investigate the structures and straininduced ferroelectric transition in different phases of few-layer HfO_(2) films(layer number𝑁=1–5).It is found that HfO_(2) films for all phases are more stable with increasing films *** them,the Pmn2_(1)(110)-oriented film is most stable,and the films of𝑁=4,5 occur with a𝑃21 ferroelectric transition under tensile strain,resulting in polarization about 11.8μC/cm^(2) along in-plane𝑎-*** ferroelectric transition is caused by the strain,which induces the displacement of Hf and O atoms on the surface to non-centrosymmetric positions away from the original paraelectric positions,accompanied by the change of surface Hf–O bond *** importantly,three new stable HfO_(2)2D structures are discovered,together with analyses of computed electronic structures,mechanical,and dielectric *** work provides guidance for theoretical and experimental study of the new structures and strain-tuned ferroelectricity in freestanding HfO_(2) films.

关键词： properties ferroelectric positions

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Stabilizing High-Nickel Cathodes via Interfacial Hydrogen Bonding Effects Using a Hydrofluoric Acid-Scavenging Separator

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Engineering 2024年第8期39卷 117-126页

作者： Shijie Zhong Liwei Dong Botao Yuan Yueyao Dong Qun Li Yuanpeng Ji Yuanpeng Liu Jiecai Han Weidong He National Key Laboratory of Science and Technology on Advanced composites in Special Environments &Center for Composite Materials and StructuresHarbin Institute of TechnologyHarbin 150080China MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage School of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150001China Chongqing Research Institute Harbin Institute of TechnologyChongqing 401151China School of Mechanical Engineering Chengdu UniversityChengdu 610106China

Nickel-rich layered Li transition metal oxides are the most promising cathode materials for high-energydensity Li-ion ***,they exhibit rapid capacity degradation induced by transition metal dissolution and structural reconstruction,which are associated with hydrofluoric acid(HF)generation from lithium hexafluorophosphate *** potential for thermal runaway during the working process poses another *** are promising components to alleviate the aforementioned ***,an ultrathin double-layered separator with a 10 lm polyimide(PI)basement and a 2 lm polyvinylidene difluoride(PVDF)coating layer is designed and fabricated by combining a nonsolvent induced phase inversion process and coating *** PI skeleton provides good stability against potential thermal shrinkage,and the strong PI-PVDF bonding endows the composite separator with robust structural integrity;these characteristics jointly contribute to the extraordinary mechanical tolerance of the separator at elevated ***,unique HF-scavenging effects are achieved with the formation of-CO…H-F hydrogen bonds for the abundant HF coordination sites provided by the imide ring;hence,the layered Ni-rich cathodes are protected from HF attack,which ultimately reduces transition metal dissolution and facilitates long-term cyclability of the Ni-rich ***||NCM811 batteries(where“NCM”indicates LiNi_(x)Co_(y)Mn_(1-x-y)O_(2))with the proposed composite separator exhibit a 90.6%capacity retention after 400 cycles at room temperature and remain sustainable at 60℃with a 91.4%capacity retention after 200 *** adopting a new perspective on separators,this study presents a feasible and promising strategy for suppressing capacity degradation and enabling the safe operation of Ni-rich cathode materials.

关键词： Nickel-rich cathodes composite separator HF scavenging Transition metal dissolution Long-term cyclability

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