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How do high-voltage cathode and PEO electrolyte get along well?EIS analysis mechanism&potentiometric control strategy

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Journal of Energy Chemistry 2024年第9期96卷 424-436页

作者： xiaodong Bai Chaoliang Zheng Heng Zhang Jian Liu Panpan Wang baojia xia Jianling Li State Key Laboratory of Advanced Metallurgy University of Science1nd Technology BeijingBeijing 100083China Shanghai Institute of Microsystem1nd Information Technology Chinese Academy of SciencesShanghai 201800China

PEO-based all-solid-state electrolytes are extensively utilized and researched owing to their exceptional safety,low-mass-density,and ***,the low oxidation potential of PEO makes the interface problem with the high-voltage cathode extremely *** this work,the impedance of PEO-based all-solid-state batteries with high-voltage cathode(NCM811)was studied at different *** Nyquist plots displayed a gyrate arc at low-frequencies for NCM811/PEO *** on the kinetic modeling,it was deduced that there is a decomposition reaction of PEO-matrix in addition to de-embedded reaction of NCM811,and the PEO intermediate product(dehydra-PEO)adsorbed on the electrode surface leading to low-frequency inductive ***,the distribution of relaxation time shows the dehydra-PEO results in the kinetic tardiness of the charge transfer process in the temporal ***,an artificial interface layer(CEI_(x))was modified on the surface of NCM811 to regulate the potential of cathode/electrolyte interface to prevent the high-voltage deterioration of ***/CEI_(x)/PEO batteries exhibit capacity retentions of 96.0%,84.6%,and 76.8%after undergoing 100 cycles at cut-off voltages of 4.1,4.2,and 4.3 V,***,here the failure mechanism of high-voltage PEO electrolyte is investigated by EIS and a proposed solving strategy is presented.

关键词： PEo-based electrolyte High-voltage cathode Electrochemical impedance spectroscopy Mechanism research Electrochemical characteristic

Comparative study on microstructure of β-Ni(OH)_(2) as cathode material for Ni-MH battery

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Science China(Technological Sciences) 2006年第3期49卷 297-312页

作者： LOU Yuwan YANG Chuanzheng ZHANG Xigui MA Liping xia baojia The Research Center of Semiconductor Functional Film Engineering Technology Nano Technology LaboratoryShanghai Institute of Micro-system and Information TechnologyChinese Academy of SciencesShanghai 200050China

Microstructures such as micro-strain,crystallite as well as stacking faults can result in broadening of X-ray diffraction *** on least square principle,new com-putation method and programs,which can separate the two-fold broadening effect caused by crystallite/stacking faults and which can separate the three-fold broadening effect caused by crystallite/residual stress/stacking faults,have been *** a result,mi-cro-strain and crystallite sizes as well as stacking fault probability can be calculated re-spectively and investigated in *** the microstructures ofβ-Ni(OH)_(2)are investi-gated by means of these *** main results are as follows:1)The shape and size of crystallite as well as stacking fault probability of rawβ-Ni(OH)_(2)are dependent on its preparation technique.2)Activation changes the microstructure ofβ-Ni(OH)_(2).It transforms the crystallite shape from short-fat cylinder into polyhedrons or nearly equiaxial *** also alters the residual strain states and stacking fault probability.3)After charge-discharge and cycle-lifetime testing,the crystallites ofβ-Ni(OH)_(2)are fined further and its residual strain and fault probability were *** extent of these effects are dependent on circulating conditions.4)Calcium additive inβ-Ni(OH)_(2)restrains grain fining process and turns twin fault into deformation fault.5)Comprehensive analysis reveals that micro structural parameters ofβ-Ni(OH)_(2)are correlated with some performance of Ni-MH battery.

关键词： microstructure β-Ni(OH)_(2) Ni-MH battery XRD

Theoretic Diffraction Research on the Order-Disorder Effect of Transition Metal in Li(Ni1/3 Co1/3 Mn1/3)O2

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Journal of Harbin Institute of Technology(New Series) 2018年第6期25卷 78-89页

作者： Chunhui Cao Jian Zhang Chuanzheng Yang baojia xia Shanghai Institute of Microsystem of Information Technology Shanghai 200050China University of Chinese Academy of Sciences Beijing 100049Chin

After describing research status of super-structure for Li (Ni_(1/3)Co_(1/3)Mn_(1/3)) O_2,diffraction patterns of Li (Ni_(1/3)Co_(1/3)Mn_(1/3)) O_2 in different order parameters have been researched by Powder-cell program,including crystal structure,X-ray and neutron diffraction pattern,anomalous diffraction pattern and comparison of NiCoMn in different positions. The influence of order parameters on intensity of matrix and super-lattice diffraction lines has also been analyzed and the summarization and prospect have been made lastly.

关键词： Li(Ni Co Mn )O order-disorder diffraction

Effect of VFe addition on hydrogen storage behavior of TiMn_(1.5)-based alloys

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Journal of University of Science and Technology Beijing 2004年第3期11卷 263-267页

作者： Xuebin Yu Zhu Wu baojia xia Taizhong Huang Jinzhou Chen Naixin Xu Lab of Energy Science and Technology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China Lab. of Energy Sci. and Technol. Shanghai Inst. of Microsystem Chinese Acad. of Sci. Shanghai 200050 China

The hydrogen absorption and desorption behavior of TiMn_(1.25)Cr_(0.25)alloys with VFe substitution for partial Mn was investigated at 273, 293 and 313 K. It is found thatVFe substitution increases their hydrogen storage capacity, decreases the plateau pressure and thehysteresis factor of their pressure-composition-temperature (PCT) curves. After annealing treatmentat 1223 K for 6 h, TiMn_(0.95)Cr_(0.25)(VFe)_(0.3) alloy exhibits a lower hydrogen desorptionplateau pressure (0.27 MPa at 313 K) and a smaller hysteresis factor (0.13 at 313 K); the maximumand effective hydrogen storage capacities (mass fraction) are 2.03% and 1.12% respectively, whichcan satisfy the demand of hydrogen storage tanks for proton exchange membrane fuel cells (PEMFC).

关键词： TiMn-based alloy hydrogen storage capacity hysteresis sloping factor PEMFC

Analytical Solutions for an Isotropic Elastic Half-Plane with Complete Surface Effects Subjected to a Concentrated/Uniform Surface Load

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Acta Mechanica Solida Sinica 2024年第3期37卷 371-384页

作者： xia-Hui Pan School of Civil Engineering Henan Polytechnic UniversityJiaozuo454003China

Within the context of Gurtin-Murdoch surface elasticity theory,closed-form analytical solutions are derived for an isotropic elastic half-plane subjected to a concentrated/uniform surface *** the effects of residual surface stress and surface elasticity are *** stress function method and Fourier integral transform technique are *** solutions are provided in a compact manner that can easily reduce to special situations that take into account either one surface effect or none at *** results indicate that surface effects generally lower the stress levels and smooth the deformation profiles in the *** elasticity plays a dominant role in the in-plane elastic fields for a tangentially loaded half-plane,while the effect of residual surface stress is fundamentally crucial for the out-of-plane stress and displacement when the half-plane is normally *** the remaining situations,combined effects of surface elasticity and residual surface stress should be *** results for a concentrated surface force serve essentially as fundamental solutions of the Flamant and the half-plane Cerruti problems with surface *** solutions presented in this work may be helpful for understanding the contact behaviors between solids at the nanoscale.

关键词： Surface effects Residual surface stress Surface elasticity Half-plane Analytical solutions

Computational modelling of gas–liquid–solid multiphase free surface flow with and without evaporation

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Particuology 2024年第7期90卷 218-235页

作者： Huihuang xia Marc Kamlah Institute for Applied Materials(IAM) Karlsruhe Institute of Technology(KIT)Hermann-von Helmholtz-Platz 176344 Eggenstein-LeopoldshafenGermany

Gas–liquid–solid multiphase systems are ubiquitous in engineering applications,*** printing,spray drying and *** a numerical framework for modelling these multiphase systems is of great *** improved,resolved computational fluid dynamics-discrete element method(CFD-DEM)framework is developed to model the multiphase free surface flow with and without *** improved capillary force model is developed to compute the capillary interactions for partially floating particles at a free *** well-known benchmark cases,namely drag coefficient calculation,the single sphere settling,and drafting-kissing-tumbling of two particles are conducted to validate the resolved CFD-DEM *** turns out that the resolved CFD-DEM model developed in this paper can accurately calculate the fluid–solid interactions and predict the trajectory of solid particles interacting with the liquid *** demonstrations,namely two particles moving along a free surface when the liquid phase evaporates,and particle transport and accumulations inside an evaporating sessile droplet show the performance of the resolved model.

关键词： Capillary force Discrete element method Liquid bridge Particle transport Resolved CFD-DEM Volume of fluid

Theoretical and experimental investigations on single-atom catalysis:Pt1/FeOx for water-gas shift reaction Shan-Fei Wang1,§,Yangyang Li2,3,§,Haiyan Wang1,Jin-xia Liang1(✉),Chun Zhu1

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Nano Research 2024年第9期17卷 8627-8637页

作者： Shan-Fei Wang Yangyang Li Haiyan Wang Jin-xia Liang Chun Zhu Botao Qiao School of Chemistry and Chemical Engineering Guizhou UniversityGuiyang 550025China CAS Key Laboratory of Science and Technology on Applied Catalysis Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China University of Chinese Academy of Sciences Beijing 100049China

Oxide-supported metal single-atom catalysts(SACs)have exhibited excellent catalytic performance for water-gas shift(WGS)***,we report the single-atom catalyst Pt1/FeOx exhibits excellent medium temperature catalytic performance for WGS reactions by the density functional theory(DFT)calculations and experimental *** calculations indicate that H_(2)O molecules are easily dissociated at oxygen vacancies,and the formed*OH and*O are adsorbed on Pt1 single atoms and the adjacent O atoms,*** studying four possible reaction mechanisms,it is found that the optimal WGS reaction pathway is proceeded along the carboxyl mechanism(pathway III),in which the formation of*COOH intermediates can promote the stability of Pt1/FeOx SAC and the easier occurrence of WGS *** energy barrier of the rate-determining step during the entire reaction cycle is only 1.16 eV,showing the high activity for the medium temperature WGS reaction on Pt1/FeOx SAC,which was verified by experimental ***,the calculated turnover frequencies(TOFs)of CO_(2)and H_(2)formation on Pt1/FeOx at 610 K(337℃)can reach up to 1.14×10^(-3)s^(-1)·site^(-1)through carboxyl *** this work,we further expand the application potential of Pt1/FeOx SAC in WGS reaction.

关键词： water-gas shift(WGS)reaction single-atom catalyst(SAC) density functional theory(DFT) thermocatalysis

Regional features of pollen R-values in China

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Science China Earth Sciences 2024年第1期67卷 295-308页

作者： Jie xia Jian NI College of Life Sciences Zhejiang Normal UniversityJinhua 321004China Jinhua Mountain Observation and Research Station for Subtropical Forest Ecosystems Jinhua 321004China

Establishing a quantitative relationship between modern pollen and vegetation remains a pivotal but intricate pursuit within the field of Quaternary *** R-value,a well-established and traditional metric characterized by its simplicity and direct applicability,serves to calibrate the nonlinear disparities between surface pollen and modern *** study entails the construction of a comprehensive pollen R-value dataset for China derived from R-values published between 1987 and *** dataset,compiled after rigorous screening,calibration,and standardization processes,encompasses 898 modern pollen sampling sites and 2115 pollen R-value data entries,encapsulating 152 pollen taxa spanning 65 families and 113 *** the extracted R-values yielded the following insights:(1)A macrospatial analysis validates previously established knowledge at a site-specific ***,pollen R-value variations across China are statistically *** two-thirds of pollen taxa exhibit underrepresentation(e.g.,Taxodiaceae,Corylus,Nitraria,Tamarix,Cyperaceae,Poaceae,and Fabaceae),while the remaining one-third display overrepresentation(e.g.,Pinus,Picea,Betula,Ephedra,Chenopodiaceae,and Artemisia).The degree of underrepresentation surpasses that of overrepresentation,and the representation patterns of Castanea,Quercus,Polygonaceae,and Asteraceae are contingent upon vegetation types.(2)Pollen R-values follow distinct spatial distribution patterns within *** the woody vegetation region of eastern China,R-values progressively decline from north to south,correlating with rising temperatures and ***,in herbaceous vegetation regions of northern and western China,R-values decrease from east to west and from northeast to southwest,corresponding to increased ***,pollen R-values manifest variation contingent on pollen taxa,vegetation types,and climatic regions,even differing for the same taxa across varying

关键词： Pollen R-value Modern pollen-vegetation relationship Regional pattern Variability Paleovegetation reconstruction

“Buckets effect”in the kinetics of electrocatalytic reactions

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Journal of Energy Chemistry 2024年第2期89卷 388-396,I0010页

作者： Haowen Cui Yan-xia Chen Hefei National Laboratory for Physical Sciences at Microscale Department of Chemical PhysicsUniversity of Science and Technology of ChinaHefei 230026AnhuiChina

In this study,we systematically investigated the effect of proton concentration on the kinetics of the oxygen reduction reaction(ORR)on Pt(111)in acidic *** results demonstrate a rectangular hyperbolic relationship,i.e.,the ORR current excluding the effect of other variables increases with proton concentration and then tends to a constant *** consider that this is caused by the limitation of ORR kinetics by the trace oxygen concentration in the solution,which determines the upper limit of ORR kinetics.A model of effective concentration is further proposed for rectangular hyperbolic relationships:when the reactant concentration is high enough to reach a critical saturation concentration,the effective reactant concentration will become a constant *** could be due to the limited concentration of a certain reactant for reactions involving more than one reactant or the limited number of active sites available on the *** study provides new insights into the kinetics of electrocatalytic reactions,and it is important for the proper evaluation of catalyst activity and the study of structureperformance relationships.

关键词： Oxygen reduction reaction Kinetics Zero order Rectangular hyperbolic relationship pH effect