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Rare Metals 2024年第2期43卷 749-757页

作者： Zheng zhao wei-Xin zhao Yong-Qi Zhang Mei-Sheng Cui Yong-Ke Hou Dong-Ming Chen Juan-Yu Yang Zong-Yu Feng Xiao-wei Huang National Engineering Research Center for Rare Earth Grirem Advanced Materials Co.Ltd.GRINM Group Corporation LimitedBeijing100088China Griem Hi-Tech Co.Ltd. Langfang065000China Rare Earth Functional Materials(Xiong’an)Innovation Venter Co.Ltd. Baoding071700China

The ceria-zirconia compound oxide-supported noble metal Pd(Pd@CZ)is widely used in three-way ***,the surface structure of CZ plays an important role in catalytic activity of ***,how to regulate the surface structure of CZ and clarify the structure–activity relationship is still a *** this paper,a strategy is proposed to develop high activity Pd@CZ nanocatalysts by tuning Y doping sites in *** precipitate-deposition method is developed to prepare the novel Ce_(0.485)Zr_(0.485)Y_(0.03)O_(2) composite with surface doping of Y(CZ-Y-S).In addition,the Pd@CZ-Y-S(Pd supported on CZ-Y-S)exhibits superior catalytic activity for HC,CO,and NO oxide,wherein,for CO and C_(3)H_(6) oxidation,the low-temperature activity of Pd@CZ-Y-S is still 20%higher than that of Pd@CZ-Y-B(Y bulk doping)and commercial Pd@CZ after 1000℃/4 h *** effect mechanism is further studied by density functional theory(DFT)*** with Pd@CZ-Y-B,Pd@CZ-Y-S shows the lower CO oxide reaction energy barriers due to the weaker adsorption strength of *** Y surface doping strategy could provide valuable insights for the development of highly efficient Pd@CZ catalyst with extensive applications.

关键词： Rare earth Ceria-zirconia-supported Pd Surface doping Experiment and theory Catalytic application

Theoretical Exploration of Alloying Effects on Stabilities and Mechanical Properties ofγʹPhase in Novel Co–Al–Nb-Base Superalloys

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Acta Metallurgica Sinica(English Letters) 2024年第7期37卷 1238-1248页

作者： Guan-Cheng Gu zhao-Jing Han Ze-Yu Chen zhao-Xuan Li Sheng-Bao Xia Zheng-Ning Li Hua Jin wei-wei Xu Xing-Jun Liu Shenzhen Research Institute of Xiamen University School of Aerospace EngineeringXiamen UniversityXiamen361005China Institute of Materials Genome and Big Data Harbin Institute of TechnologyShenzhen518055China

The new developedγ/γʹCo–Al–Nb-base alloys show great potentials as high-temperature ***,finding appropriate compositions to improve performance of alloys still poses a great challenge to the development of Co–Al–Nb-base *** by the lack of alloying effects on fundamental properties of criticalγʹphase,we systematically performed a theoretical investigation on the effect of alloying elements TM(TM:Ti,V,Cr,Zr,Mo,Ta,W,Re,and Ru)on phase stabilities and mechanical properties of L1_(2)-typeγʹ(Co,Ni)_(3)(Al,Nb).By analyzing the stability ofγʹphase with respect to its competitive B2 and D0_(19) phases,the results shown that Ti,V,and Cr enhance the L1_(2) stability and widen the L1_(2)–D0_(19) energy barrier,in which V yields the maximum *** analysis of electronic structure indicated that the alternation of valence electrons at fermi level would be the atomic origin for doping TM inγʹ*** calculated results of mechanical properties shown that V and Cr are expected to be optimal dopant for enhancing the strength and the ductility ofγʹ*** addition of Ta is also beneficial for enhancing the strength at the slight expense of ductility ofγʹ*** drawing the mechanical maps,the preferred composition range for the phases with desired properties is roughly demarcated in theory for the multi-addition of V/Cr and V/Ta inγʹ*** findings would be useful for optimizing the performance of novelγ/γʹCo–Al–Nb-base superalloys.

关键词： Co-Al-Nb-base superalloys γ/γʹdual-phase Phase stability Mechanical properties First-principle methods

Effect of mesopore spatial distribution of HZSM-5 catalyst on zinc state and product distribution in 1-hexene aromatization

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Chinese Journal of Chemical Engineering 2024年第3期67卷 16-26页

作者： Chenhao wei Di Gao Guohao Zhang Liang zhao Jinsen Gao Chunming Xu The State Key Lab of Heavy Oil Processing China University of Petroleum(Beijing)Beijing 102249China SINOPEC Research Institute of Petroleum Processing Co. Ltd.Beijing 100083China

1-hexene aromatization is a promising technology to convert excess olefin in fluid catalytic cracking(FCC)gasoline to high-value benzene(B),toluene(T),and ***,the increasing market demand of xylene has put forward higher requirements for new generation of *** increasing xylene yield in 1-hexene aromatization,the effect of mesopore structure and spatial distribution on product distribution and Zn loading was *** with different mesopore spatial distribution were prepared by post-treatment of parent HZSM-5 zeolite,including NaOH treatment,tetra-propylammonium hydroxide(TPAOH)treatment,and *** was found the evenly distributed mesopore mainly prolongs the catalyst lifetime by enhancing diffusion properties but reduces the aromatics selectivity,as a result of damage of micropores close to the catalyst *** the selectivity of high-value xylene can be highly promoted when the mesopore is mainly distributed interior the ***,the state of loaded Zn was also affected by mesopores spatial *** the optimized catalyst,the xylene selectivity was enhanced by 12.4%compared with conventional Zn-loaded parent HZSM-5 catalyst at conversion over 99%.It was attributed to the synergy effect of mesopores spatial distribution and optimized acid *** work reveals the role of mesopores in different spatial positions of 1-hexene aromatization catalysts in the reaction process and the influence on metal distribution,as well as their synergistic effect two on the improvement of xylene selectivity,which can improve our understanding of catalyst pore structure and be helpful for the rational design of high-efficient catalyst.

关键词： 1-Hexene aromatization Alkali treatment Xylene selectivity Mesopores Zinc state

Numerical simulation of liquid sloshing in a spherical tank by MPS method

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Journal of Hydrodynamics 2024年第2期36卷 232-240页

作者： Cong-yi Huang Ji-fei Wang wei-wen zhao De-cheng Wan Computational Marine Hydrodynamic Lab(CMHL) School of Naval ArchitectureOcean and Civil EngineeringShanghai Jiao Tong UniversityShanghai200240China Shanghai Aerospace System Engineering Institute Shanghai201109China

This paper investigates the sloshing phenomena in a spherical liquid tank using the moving particle semi-implicit(MPS)method,a crucial study in fluid *** from previous research focused on rectangular or LNG tanks,this work explores the unique motion patterns inherent to spherical *** accuracy of our in-house MPS solver MLParticle-SJTU is validated against experimental data and finite volume method(FVM).And the MPS method reveals a closer alignment with experimental outcomes,which suggests that MPS method is particularly effective for modeling complex,non-linear fluid *** the fluid’s response to excitation at its natural frequency is simulated,showcasing vigorous sloshing and rotational *** analyses of the fluid motion are conducted by drawing streamline diagrams,velocity vector diagrams,and vorticity *** fluid’s motion response is explored using both time-domain and frequency-domain curves of the fluid centroid,as well as the sloshing force.

关键词： Moving particle semi-implicit(MPS)method spherical tank liquid sloshing model experiment

Site-specific incorporation of reduction-controlled guest amino acids into proteins for cucurbituril recognition

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Chinese Chemical Letters 2024年第5期35卷 193-196页

作者： Zhen dai Linzhi Tan Yeyu Su Kerui zhao Yushun Tian Yu Liu Tao Liu College of Chemistry State Key Laboratory of Elemento-Organic ChemistryNankai UniversityTianjin 300071China State Key Laboratory of Natural and Biomimetic Drugs Department of Molecular and Cellular PharmacologySchool of Pharmaceutical SciencesPeking UniversityBeijing 100191China

Protein recognition using host-guest recognition approach is of great interest but has been limited mainly to the protein N-terminal ***,we site-specific incorporated two novel non-canonical amino acids containing supramolecular guest motifs into protein via an expanded genetic *** Staudinger reduction reactions,the encoded unnatural residues on protein becoming activated and can be specifically recognized by cucurbit[7]uril(CB[7])and cucurbit[8]uril(CB[8]).We demonstrated that enzyme containing guest amino acid incorporated near the active site can be reversibly regulated by CB[7]recognition,and CB[8]recognition induces protein *** amino acids will make useful addition to the supramolecular toolbox for protein targeting using molecular recognition approaches.

关键词： Protein recognition Host-guest recognition Non-canonical amino acids Staudinger reduction Expanded genetic code

MoS2-based anode materials for lithium-ion batteries:Developments and perspectives

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Particuology 2024年第4期87卷 240-270页

作者： Lianyu zhao Yishan Wang Chuncheng wei Xiaoxiao Huang Xueqian Zhang Guangwu Wena School of Materials Science and Engineering Shandong University of TechnologyZibo255000China Schoolof Materials Science and Engineering Harbin Institute of TechnologyHarbin10001China

In recent years,significant progress has been achieved in the creation of innovative functional materials for energy storage and *** to their distinct physicochemical characteristics,ultrathin nanosheets composed of common layered transition metal sulfide materials(MoS2)have demonstrated promise as high-capacity anode materials for lithium-ion batteries(LIBs).Nevertheless,their practical application is severely limited by the tendency of monolayer nanosheets to restack due to strong van der Waals forces,dramatic volume changes during successive cycles,and low intrinsic *** research advances have shown that composite structures and nanowire morphologies with specific morphologies effectively overcome these *** paper reviews the recent research progress on molybdenum disulfide-based composites as anode materials for LIBs and discusses in detail the struc-tural characteristics of pure molybdenum disulfide and other composite forms of molybdenum *** addition,the phase engineering,defect engineering,and lithium storage mechanisms of molybdenum disulfide and the synthesis of molybdenum disulfide-based nanocomposites by different preparation methods are focused ***,we review the design(structure),recent developments,and challenges of novel anode materials and consider their electrochemical performance in Li-ion batteries.

关键词： Lithium-ion battery MoS_(2)-Based anode composites Synthesis methods Defect engineering Lithium storage mechanism

Lamellar water induced quantized interlayer spacing of nanochannels walls

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Green Energy & Environment 2024年第2期9卷 356-365页

作者： Yue Zhang Chenlu Wang Chunlei Wang Yingyan Zhang Junhua zhao Ning wei Jiangsu Key Laboratory of Advanced Food Manufacturing Equipment and Technology Jiangnan UniversityWuxi214122China Key Laboratory of Agricultural Soil and Water Engineering in Arid and Semiarid Areas Ministry of EducationNorthwest A&F UniversityYangling712100China Zhangjiang Lab Interdisplinary Research CenterShanghai Advanced Research InstituteChinese Academy of SciencesShanghai201210China Key Laboratory of Interfacial Physics and Technology Shanghai Institute of Applied PhysicsChinese Academy of SciencesShanghai201800China Mechanical&Automotive Engineering School of EngineeringRMIT UniversityBundooraMelbourneVICVIC 3083Australia

The nanoscale confinement is of great important for the industrial applications of molecular sieve,desalination,and also essential in bio-logical transport *** efforts have been devoted to the influence of restricted spaces on the properties of confined ***,the situation of channel-wall is crucial but attracts less attention and remains *** fundamentally understand the mechanism of channel-walls in nanoconfinement,we investigated the interaction between the counter-force of the liquid and interlamellar spacing of nanochannel walls by considering the effect of both spatial confinement and surface *** results reveal that the nanochannel stables at only a few discrete spacing states when its confinement is within 1.4 *** quantized interlayer spacing is attributed to water molecules becoming laminated structures,and the stable states are corresponding to the monolayer,bilayer and trilayer water configurations,*** results can potentially help to understand the characterized interlayers spacing of graphene oxide membrane in *** findings are hold great promise in design of ion filtration membrane and artificial water/ion channels.

关键词： Nanoconfinement Quantized spacing Lamellar water layer MD simulations Entropy force

Numerical investigation of the coupled aero-hydrodynamic performances of a semi-submersible floating offshore wind turbine with inclined columns

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Journal of Hydrodynamics 2024年第2期36卷 316-330页

作者： Ying-jie Xue Xiao-long Yang wei-wen zhao De-cheng Wan Computational Marine Hydrodynamics Lab(CMHL) School of Naval ArchitectureOcean and Civil EngineeringShanghai Jiao Tong UniversityShanghai200240China Offshore Oil Engineering Co.Ltd. Tianjin300461China

Numerical investigations of floating platforms with different outer column inclined angles under two operating conditions of regular wave and irregular wave are presented in this paper.A coupled aero-hydrodynamic computational fluid dynamics in-house solver FOWT-UALM-SJTU is applied for the ***,the validation for wave and wind generation are conducted to determine mesh distribution *** on these,the hydrodynamic motion response,aerodynamic performance and wake flow are analyzed to explore the impact of inclined *** spectral analysis on the motion response under wave action,discuss the aerodynamic attack angle and inflow wind velocity along the blade spanwise direction in detail,reveal different trends in wake development and *** results show that for the regular wave condition with the increase of inclined angles,the equilibrium position of surge motion is constantly rising,while pitch is *** maximum root mean square(rms)value occurs at angle=30°,compared with the original OC4 FOWT,the rms in power and thrust increase 0.35%,0.71%.And there are two low regions of attack angle and high regions of axial inflow velocity,corresponding to aerodynamic *** spectral analysis indicates that the natural frequency of pitch motion will increase with inclined ***,from the middle to far region of wake flow,the velocity recovery of FOWT with inclined angle will become faster,which is beneficial for downstream turbines to enhance more wind energy.

关键词： Floating offshore wind turbine numerical simulation aero-hydrodynamic coupled analysis floating platform with inclinedcolumns wake flow recovery

Infrared microspectroscopy beamline BL06B at SSRF

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Nuclear Science and Techniques 2024年第1期35卷 10-17页

作者： Te Ji Hua-Chun Zhu wei-wei Peng Jie Wang Hong-wei zhao Ai-Guo Li Min Chen Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteChinese Academy of SciencesShanghai 201210China

The infrared microspectroscopy beamline(BL06B) is a phase Ⅱ beamline project at the Shanghai Synchrotron Radiation Facility(SSRF). The construction and optical alignment of BL06B were completed by the end of 2020. By 2021, it became accessible to users. The synchrotron radiation infrared(SRIR) source included edge radiation(ER) and bending magnet radiation(BMR). The extracted angles in the horizontal and vertical directions were 40 and 20 mrad, respectively. The photon flux, spectral resolution, and focused spot size were measured at the BL06B endstation, and the experimental results were consistent with theoretical calculations. SRIR light has a small divergence angle, high brightness, and a wide wavelength range. As a source of IR microscopy, it can easily focus on a diffraction-limited spatial resolution with a high signal-to-noise ratio(SNR). The BL06B endstation can be applied in a wide range of research fields, including materials, chemistry, biology, geophysics, and pharmacology.

关键词： Synchrotron radiation Infrared beamline Infrared microspectroscopy

A strategy to synthesize phosphorus-containing nickel phyllosilicate whiskers to enhance the flame retardancy of epoxy composites with excellent mechanical and dry-friction properties

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Frontiers of Chemical Science and Engineering 2024年第3期18卷 39-50页

作者： Shibin Nie Zongquan zhao Yuxuan Xu wei He Wenli Zhai Jinian Yang School of Public Security and Emergency Management Anhui University of Science and TechnologyHefei231131China School of Safety Science and Engineering Anhui University of Science and TechnologyHuainan232001China School of Materials Science and Engineering Anhui University of Science and TechnologyHuainan232001China Institute of Energy Hefei Comprehensive National Science CenterHefei230000China

To enhance the fire safety and wear resistance of epoxy,phosphorus-containing nickel phyllosilicate whiskers(FP-NiPS)were synthesized using a facile hydrothermal technology,with 9,10-dihydro-9-oxa-10-phosphaphenanthrene as the organic *** impacts of FP-NiPS on the thermal stability,flame retardancy,and mechanical and tribological properties of EP composites were *** findings demonstrated that 5 wt%FP-NiPS elevated the limiting oxygen index of the EP composite from 23.8%to 28.4%,achieving a V-0 rating during vertical burning ***-NiPS could enhance the thermal stability of epoxy resin(EP)and facilitate the development of a dense and continuous carbon layer,thereby significantly improving the fire safety of the EP *** FP-NiPS led to an 8.2%increase in the tensile strength and a 38.8%increase in the elastic modulus of the EP composite,showing outstanding mechanical ***,FP-NiPS showed remarkable potential in enhancing the wear resistance of *** wear rate of 1 wt%FP-NiPS is 2.34×10^(−5) mm^(3)·N^(−1)·m^(−1),a decrease of 66.7%compared to *** work provides a novel promising modification method to enhance the fire safety,mechanical and wear resistance properties of EP.

关键词： nickel phyllosilicate epoxy resin flame retardant wear resistance mechanical property