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Improving hydrogen storage thermodynamics and kinetics of Ce-Mg-Ni-based alloy by mechanical milling with TiF_(3)

Journal of Magnesium and Alloys 2024年第4期12卷 1593-1607页

作者： Hongwei Shang Wei Zhang xin Wei Yaqin li Zeming Yuan Jun li Yanghuan Zhang School of Mechanical and Electrical Engineering Chuzhou UniversityChuzhou 239000China Department of Functional Material Research Central Iron and Steel Research InstituteNo.76 Xueyuannan RoadHaidian DistrictBeijing 100081China Key Laboratory of Integrated Exploitation of Bayan-Obo Multi-Metal Resources Inner Mongolia University of Science and TechnologyBaotou 014010China China Rare Earth New Material(Weishan)Co. Ltd.Jining 277600China

Mg-based hydrides are too stable and the kinetics of hydrogen absorption and desorption is not *** efficient way to improve these shortcomings is to employ reactive ball milling to synthesize the nanocomposite materials of Mg and *** this experiment,TiF_(3)was selected as an additive,and the mechanical milling method was employed to prepare the experimental *** alloys used in this experiment were the as-cast Ce_(5)Mg_(85)Ni_(10),as-milled Ce_(5)Mg_(85)Ni_(10)and Ce_(5)Mg_(85)Ni_(10)+3 wt.%*** phase transformation,structural evolution,isothermal and non-isothermal hydrogenation and dehydrogenation performances of the alloys were inspected by XRD,SEM,TEM,Sievert apparatus,DSC and *** revealed that nanocrystalline appeared in the as-milled *** with the as-cast alloy,ball milling made the particle dimension and grain size decrease dramatically and the defect density increase *** addition of TiF_(3)made the surface of ball milling alloy particles markedly coarser and more *** milling and adding TiF_(3)distinctly improved the activation and kinetics of the ***,ball milling along with TiF_(3)can decrease the onset dehydrogenation temperature of Mg-based hydrides and slightly ameliorate their thermodynamics.

关键词： Mg-based hydrides TiF_(3) Ball milling Thermodynamics Kinetics

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Quantum control for time-dependent noise by inverse geometric optimization

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Science China(Physics,Mechanics & Astronomy) 2024年第9期Mechanics & Astronomy) .卷 55-61页

作者： Xiaodong Yang Yingcheng li Ran liu xinfang Nie Tao xin Dawei Lu Jun li Institute of Quantum Precision Measurement State Key Laboratory of Radio Frequency Heterogeneous IntegrationCollege of Physics and Optoelectronic EngineeringShenzhen University State Key Laboratory of Surface Physics Department of PhysicsCenter for Field Theory and Particle Physicsand Institute for Nanoelectronic Devices and Quantum ComputingFudan University Shenzhen Institute for Quantum Science and Engineering and Department of Physics Southern University of Science and Technology Guangdong Provincial Key Laboratory of Quantum Science and Engineering Southern University of Science and Technology Quantum Science Center of Guangdong-Hong Kong-Macao Greater Bay Area(Guangdong)

Quantum systems are exceedingly difficult to engineer because they are sensitive to various types of noises. In particular, timedependent noises are frequently encountered in experiments but how to overcome them remains a challenging problem. In this work, we propose a flexible robust control technique to resist time-dependent noises based on inverse geometric optimization working in the filter-function formalism. The basic idea is to parameterize the control filter function geometrically and minimize its overlap with the noise spectral density. This then effectively reduces the noise susceptibility of the controlled system evolution. We show that the proposed method can produce high-quality robust pulses for realizing desired quantum evolutions under realistic noise models. Also, we demonstrate this method in examples including dynamical decoupling and quantum sensing protocols to enhance their performances.

关键词： time-dependent noise robust control quantum gates and states dynamical decoupling quantum sensing

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Orbit and clock products for quad-system satellites with undifferenced ambiguity fixing approach

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Satellite Navigation 2024年第1期5卷 125-139页

作者： Jiaqi Wu xingxing li Yongqiang Yuan Keke Zhang xin li Jiaqing Lou Yun Xiong School of Geodesy and Geomatics Wuhan University129 Luoyu RoadWuhan430079China Hubei Luojia Laboratory 129 Luoyu RoadWuhan430079China German Research Centre for Geosciences GFZ Telegrafenberg14473PotsdamGermany Technische Universitat Berlin(TUB) Straße Des 17.Juni10623BerlinGermany

Integer Ambiguity Resolution(IAR)can significantly improve the accuracy of GNSS Precise Orbit Determination(POD).Traditionally,the IAR in POD is achieved at the Double Differenced(DD)*** this contribution,we develop an Un-Differenced(UD)IAR method for Global Positioning System(GPS)+BeiDou Navigation Satellite System(BDS)+Galileo navigation satellite system(Galileo)+Global'naya Navigatsionnaya Sputnikovaya Sistema(GLONASS)quad-system POD by calibrating UD ambiguities in the raw carrier phase and generating the so-called carrier *** on this method,we generate the UD ambiguity-fixed orbit and clock products for the Wuhan Innovation Application Center(IAC)of the International GNSS Monitoring and Assessment System(iGMAS).One-year observations in 2020 from 150 stations are employed to investigate performance of orbit and clock ***,the UD Ambiguity Resolution(AR)yields more resolved integer ambiguities than the traditional DD AR,scaling up to 9%,attributable to its avoidance of station baseline *** from the removal of ambiguity parameters,the computational efficiency of parameter estimation undergoes a substantial 70%*** with the float solution,the orbit consistencies of UD AR solution achieve the accuracy of 1.9,5.2,2.8,2.1,and 2.7 cm for GPS,BeiDou-2 Navigation Satellite System(BDS-2),BeiDou-3 Navigation Satellite System(BDS-3),Galileo,and GLONASS satellites respectively,reflecting enhancements of 40%,24%,54%,34%,and 42%.Moreover,the standard deviations of Satellite Laser Ranging(SLR)residuals are spanning 2.5–3.5 cm,underscoring a comparable accuracy to the DD AR solution,with discrepancies below 5%.A notable advantage of UD AR lies in its capability to produce the Integer Recovered Clock(IRC),facilitating Precise Point Positioning(PPP)AR without requiring additional Uncalibrated Phase Delay(UPD)*** assess the performance of quad-system kinematic PPP based on IRC,a network comprising 120 stations is uti

关键词： Multi-GNSS Precise orbit determination Integer recover clock Undifferenced ambiguity resolution iGMAS innovation application center

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Variability of urban fractional vegetation cover and its driving factors in 328 cities in China

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Science China Earth Sciences 2024年第2期67卷 466-482页

作者： Fei FENG xin YANG Baoquan JIA Xiaoting li Xianwen li Chengyang XU Kaicun WANG Research Centre of Urban Forestry Key Laboratory for Silviculture and Forest Ecosystem of State Forestry and Grassland AdministrationBeijing Forestry UniversityBeijing100083China State Key Laboratory of Earth Surface Processes and Resource Ecology Beijing Normal UniversityBeijing100875China Research Institute of Forestry Chinese Academy of ForestryBeijing100091China School of Architecture Tsinghua UniversityBeijing100084China College of Urban and Environmental Sciences Sino-French Institute for Earth System ScienceInstitute of Carbon NeutralityPeking UniversityBeijing100871China

Urban green space promotes the health of urban residents,enhances urban ecosystem biodiversity,mitigates environmental pollution,and attenuates urban heat island ***,urban vegetation cover is highly heterogeneous and difficult to *** this study,the variation of urban fractional vegetation cover(FVC)in 328 cities in China from 1990 to2022 was quantified based on Landsat satellite data at a 30-m *** was found that from 1990 to 2005,due to increases in building density and impervious surfaces in cities,the national mean urban vegetation cover decreased from 0.38 to ***2005,urban vegetation cover began to reverse,reaching 0.45 in *** increasing trend was most pronounced in newly built urban *** decrease in average urban vegetation cover before 2005 was mainly due to the expansion of low vegetation cover areas,while the increase in urban vegetation cover after 2005 manifested as the expansion of high vegetation cover *** reversal in the trend of urban vegetation cover change after 2004 is related to the gradual implementation of national policies requiring increased urban green space *** urban gross domestic product(GDP)showed the highest correlation with changes in urban vegetation *** large and medium-sized cities,the top three factors influencing vegetation cover were GDP,urban population,and ***,for cities in arid/semi-arid regions,changes in vegetation cover were more sensitive to climatic factors(such as precipitation).Although the urban vegetation cover in China has substantially increased in recent years,the urban green space in small-sized cities and in the old urban districts of large-sized cities still have room to improve.

关键词： Urban vegetation Urban vegetation cover Urbanization Remote sensing

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Effect of solvent on the initiation mechanism of living anionic polymerization of styrene:A computational study

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Chinese Journal of Chemical Engineering 2024年第5期69卷 135-142页

作者： Shen li Yin-Ning Zhou Zhong-xin liu Zheng-Hong Luo School of Chemical Engineering and Technology Hainan UniversityHaikou 570228China Department of Chemical Engineering School of Chemistry and Chemical EngineeringState Key Laboratory of Metal Matrix CompositesShanghai Jiao Tong UniversityShanghai 200240China

For living anionic polymerization(LAP),solvent has a great influence on both reaction mechanism and *** this work,by using the classical butyl lithium-styrene polymerization as a model system,the effect of solvent on the mechanism and kinetics of LAP was revealed through a strategy combining density functional theory(DFT)calculations and kinetic *** terms of mechanism,it is found that the stronger the solvent polarity,the more electrons transfer from initiator to solvent through detailed energy decomposition analysis of electrostatic interactions between initiator and solvent ***,we also found that the stronger the solvent polarity,the higher the monomer initiation energy barrier and the smaller the initiation rate ***,initiation is more favorable at lower temperatures based on the calculated results ofΔG_(TS).Finally,the kinetic characteristics in different solvents were further examined by kinetic *** is found that in benzene and n-pentane,the polymerization rate exhibits first-order ***,slow initiation and fast propagation were observed in tetrahydrofuran(THF)due to the slow free ion formation rate,leading to a deviation from first-order kinetics.

关键词： living anionic polymerization Solvent effect Reaction kinetics Computational chemistry Mathematical modeling Kinetic modeling

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Transition metal clusters with precise numbers of atoms anchored on graphdiyne as multifunctional electrocatalysts for OER/ORR/HER:a computational study

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Rare Metals 2024年第7期43卷 3107-3117页

作者： xin-Yang liu Jing-Wei liu Gang li Jing-Xiang Zhao College of Chemistry and Chemical Engineering Harbin Normal UniversityHarbin 150025China

Subnanometer metal clusters play an increasingly important role in heterogeneous catalysis due to their high catalytic activity and *** this work,by means of the density functional theory(DFT) calculations,the catalytic activities of transition metal clusters with precise numbers of atoms supported on graphdiyne(TM_(1-4)@GDY,TM=V,Cr,Mn,Fe,Co,Ni,Cu,Ru,Rh,Pd,Ir,Pt) were investigated for oxygen evolution reactions(OER),oxygen reduction reactions(ORR) and hydrogen evolution reactions(HER).The computed results reveal that the Pd_(2),Pd_(4) and Pt_(1) anchored graphdiyne can serve as trifunctional catalysts for OER/ORR/HER with the overpotentials of 0.49/0.37/0.06,0.45/0.33/0.12 and 0.37/0.43/0.01 V,respectively,while Pd_(1) and Pt_(2)@graphdiyne can exhibit excellent catalytic performance for water splitting(OER/HER) with the overpotentials of 0.55/0.17 and 0.43/0.03 *** addition,Ni_(1) and Pd_(3) anchored GDY can perform as bifunctional catalysts for metal-air cells(OER/ORR) and fuels cells(ORR/HER) with the overpotentials of 0.34/0.32 and 0.42/0.04 V,***,by precisely controlling the numbers of atoms in clusters,the TM_(1-4) anchored graphdiyne can serve as promising multifunctional electrocatalysts for OER/ORR/HER,which may provide an instructive strategy to design catalysts for the energy conversation and storage devices.

关键词： Density functional theory Graphdiyne Single-cluster catalysts Multifunctional electrocatalysts Overpotential

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Nickel-catalyzed carbonylative four-component 1,4-dicarbofunctionalization of 1,3-enynes

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Science China Chemistry 2024年第6期67卷 2029-2038页

作者： Yan Zhao Qi-Chao Shan Hong xin Pin Gao Xu Yang xin-Hua Duan li-Na Guo Department of Chemistry School of ChemistryXi’an Key Laboratory of Sustainable Energy Material Chemistry and Engineering Research Center of Energy StorageMaterials and DevicesMinistry of EducationXi’an Jiaotong UniversityXi’an710049China School of Electrical Engineering Xi’an Jiaotong UniversityXi’an710049China

An efficient Ni-catalyzed four-component 1,4-carbocarbonylation of 1,3-enynes with activated alkyl halides and arylboronic acids under atmospheric pressure of CO is *** tuning the electronic and steric effects of alkyl radicals,both electronrich and electron-deficient 1,3-enynes were compatible with this *** protocol features mild conditions,broad substrate scope,excellent functional group compatibility and facile gram-scale synthesis,providing a practical approach to the quaternary carbon center-containing allenyl *** study revealed that the acyl-NiIIspecies plays an important role in both the coupling and the alkyl radical generation processes.

关键词： Ni catalysis four-component 1 4-carbocarbonylation 1 3-enynes

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Quaternary Activity Characteristics and Regional Tectonic Significance of the Jiulong Fault in Jiujiang,Jiangxi Province,China

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Journal of Earth Science 2024年第4期35卷 1107-1117页

作者： xin Qi Yuyong Jiao Qinghua li Bin li Faculty of Engineering China University of GeosciencesWuhan430074China Wuhan Center China Geological SurveyWuhan430205China Institute of Geological Survey China University of GeosciencesWuhan430074China

Obtaining geological and landform dislocation features,as well as the measured stratigraphic activity age,provides direct evidence to evaluate fault activity,which is more difficult to do in areas with low tectonic activity,such as eastern and central China.A detailed investigation of the fault activity,trenching,drilling joint geological profile,geological survey,and chronological analysis were used to obtain the spatial geometry,fault kinematics,and activity chronology of the Jiulong *** conclusions are as follows:(1)The Jiulong fault was a fracture zone composed of four branch faults,with a width of around 30–40 m and good extendibility,while the maximum surface rupture length was 373 m.(2)The Jiulong fault has many strata dislocations,and the dislocation distance decreased from bottom to top,demonstrating synsedimentary structure characteristics,with a maximum stratigraphic dislocation distance of 18.2 m.(3)Preliminary analysis suggested the Jiulong fault as a secondary fracture of the Xiangfan-Guangji fault zone and provided evidence of the southeastward extension of the Xiangfan-Guangji fault.A preliminary hypothesis purported the Xiangfan-Guangji fault as the seismogenic fault of the Ms 5.0 magnitude earthquake in 1911.(4)According to OSL and ESR dating analyses,the upper breakpoint of the Jiulong fault cuts into the Late Pleistocene xingang Formation(Qp3x)strata,and the latest active age of the Jiulong fault was 57.6 *** chronology analysis confirmed an active fault from the Late Pleistocene and identified a weak tectonic in Jiujiang Province,which represents the largest active fault outcrop uncovered in the area so *** study provides evidence and research materials for the evaluation of fault activity and seismic stability in this region.

关键词： active fault regional tectonic earthquakes seismic intensity tectonics

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Layered oxide cathodes for sodium-ion batteries:microstructure design,local chemistry and structural unit

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Science China Chemistry 2024年第1期67卷 191-213页

作者： ling-Yi Kong Han-Xiao liu Yan-Fang Zhu Jia-Yang li Yu Su Hong-Wei li Hai-Yan Hu Yi-Feng liu Ming-Jing Yang Zhuang-Chun Jian xin-Bei Jia shu-Lei Chou Yao Xiao Institute for Carbon Neutralization College of Chemistry and Materials EngineeringWenzhou UniversityWenzhou 325035China

Because of the low price and abundant reserves of sodium compared with lithium,the research of sodium-ion batteries(SIBs)in the field of large-scale energy storage has returned to the research *** oxides distinguish themselves from the mains cathode materials of SIBs owing to their advantages such as high specific capacity,simple synthesis route,and environmental ***,the commercial development of the layered oxides is limited by sluggish kinetics,complex phase transition and poor air *** on the research ideas from macro-to micro-scale,this review systematically summarizes the current optimization strategies of sodium-ion layered oxide cathodes(SLOC)from different dimensions:microstructure design,local chemistry regulation and structural unit *** the dimension of microstructure design,the various structures such as the microspheres,nanoplates,nanowires and exposed active facets are prepared to improve the slow kinetics and electrochemical ***,from the view of local chemistry regulation by chemical element substitution,the intrinsic electron/ion properties of SLOC have been enhanced to strengthen the structural ***,the optimization idea of endeavors to regulate the physical and chemical properties of cathode materials essentially is put forward from the dimension of structural unit *** opinions and strategies proposed in this review will provide some inspirations for the design of new SLOC in the future.

关键词： sodium-ion batteries layered oxide cathodes microstructure design local chemistry structural unit

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Asymmetric alkenylation reaction of benzoxazinones with diarylethylenes catalyzed by B(C_(6)F_(5))_(3)/chiral phosphoric acid

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Chinese Chemical Letters 2024年第5期35卷 135-140页

作者： Zhen liu Zhi-Yuan Ren Chen Yang Xiangyi Shao li Chen xin li State Key Laboratory of Elemento-Organic Chemistry Frontiers Science Center for New Organic MatterCollege of ChemistryNankai UniversityTianjin 300071China Haihe Laboratory of Sustainable Chemical Transformations Tianjin 300192China Zhenhai High School of Zhejiang Ningbo 315299China

Catalytic enantioselective alkenylation is an efficient method to construct chiral alkene molecules,but the asymmetric alkenylation of simple alkenes catalyzed by metal-free catalysts remains an elusive ***,we reported an asymmetric alkenylation of benzoxazinones with diarylethylenes by utilizing a B(C_(6)F_(5))_(3)/chiral phosphoric acid catalyst.A broad of benzoxazinones and diarylethylenes with electron-withdrawing and electron-donating groups were tolerated(up to 95%yield and 97.5:2.5 e.r.)in the methodology under mild reaction ***,the synthetic utility was confirmed by the scaled-up reaction and transformations of the *** mechanism was preliminarily explored by control reactions,nonlinear effect experiment and DFT calculations.

关键词： Asymmetric alkenylation Simple alkenes Benzoxazinones B(C_(6)F_(5))_(3)/chiral phosphoric acid Theoretical calculations

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