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Interplay between geometric and electronic structures of Pt entities over TiO_(2) for CO oxidation

Science China Chemistry 2024年第2期67卷 705-714页

作者： Xixiong Zhang Wen Shi Shaobo Han Yong Li Wenjie shen School of Chemistry Dalian University of TechnologyDalian116024China State Key Laboratory of Catalysis Dalian Institution of Chemical PhysicsChinese Academy of SciencesDalian116023China

Monodispersed Pt colloids with a mean size of 2 nm were deposited uniformly on the {110} facets of a rod-shaped rutile TiO_(2),forming a well-defined Pt/TiO_(2) system.Oxidative treatment of this precursor at elevated temperatures re-dispersed the Pt particles into clusters and single-atoms.Air-calcination at 673 K partially oxidized the Pt particle surface,while calcination at 773 K yielded Pt Oxclusters of 1.6 nm in 7–8 atomic layers.Further calcination at 873 K formed a mixture of raft-like PtO_(x) clusters(1.6 nm,1–2 atomic layers) and cationic single-atoms.When tested for CO oxidation at 373 K,the Pt particles showed a higher activity than the Pt Oxclusters,whereas the cationic single-atoms were much less active.Subsequent H_(2)-reduction at 473 K converted the partially oxidized Pt particles into the metallic species,but they were encapsulated by TiO_(2)–xoverlayers because of the strong metal–support interactions,which decreased the activity dramatically.H_(2)-reduction of the PtO_(x) clusters at473 K enhanced the fraction of metallic Pt species without changing the size and geometry,and promoted the activity substantially.H_(2)-treatment of Pt single-atoms at 473 K increased the activity only moderately because most Pt species still kept at cationic species.These results straightforwardly differentiated the catalytic behavior of Pt particles,clusters and single-atoms at the same metal loading and over the same TiO_(2) support,and further demonstrated that the electronic structures of Pt entities played a decisive role in the catalytic oxidation,in addition to the specified sizes.

关键词： Pt/TiO_(2)catalyst size effect Pt clusters active sites electronic structures CO oxidation

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ZnSb/Ti_(3)C_(2)T_(x)MXene van der Waals heterojunction for flexible near-infrared photodetector arrays

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Journal of Semiconductors 2024年第5期45卷 99-105页

作者： Chuqiao Hu Ruiqing Chai Zhongming Wei La Li Guozhen shen State Key Laboratory for Superlattices and Microstructures Institute of SemiconductorsChinese Academy of SciencesBeijing 100083China Center of Materials Science and Optoelectronic Engineering University of Chinese Academy of SciencesBeijing 100049China School of Integrated Circuits and Electronics Beijing Institute of TechnologyBeijing 100081China

Two-dimension(2D)van der Waals heterojunction holds essential promise in achieving high-performance flexible near-infrared(NIR)photodetector.Here,we report the successful fabrication of ZnSb/Ti_(3)C_(2)T_(x)MXene based flexible NIR photodetector array via a facile photolithography technology.The single ZnSb/Ti_(3)C_(2)T_(x)photodetector exhibited a high light-to-dark current ratio of 4.98,fast response/recovery time(2.5/1.3 s)and excellent stability due to the tight connection between 2D ZnSb nanoplates and 2D Ti_(3)C_(2)T_(x)MXene nanoflakes,and the formed 2D van der Waals heterojunction.Thin polyethylene terephthalate(PET)substrate enables the ZnSb/Ti_(3)C_(2)T_(x)photodetector withstand bending such that stable photoelectrical properties with non-obvious change were maintained over 5000 bending cycles.Moreover,the ZnSb/Ti_(3)C_(2)T_(x)photodetectors were integrated into a 26×5 device array,realizing a NIR image sensing application.

关键词： ZnSb nanoplates Ti_(3)C_(2)T_(x)MXene van der Waals heterojunction flexible photodetector image sensing

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Effects of content and particle size of TiH2 powders on the energy output rules of RDX composite explosives

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Defence Technology（防务技术） 2024年第2期32卷 297-308页

作者： Hao Wang Yangfan Cheng Shoujun Zhu Zihan Li Zhaowu shen School of Chemical Engineering Anhui University of Science and TechnologyHuainan 232001China Anhui Engineering Laboratory of Explosive Materials and Technology Anhui University of Science and TechnologyHuainan 232001China School of Engineering Science University of Science and Technology of ChinaHefei 230027China

In order to improve the detonation characteristics of RDX,a RDX-based composite explosive with TiH_(2)powders was prepared.The effects of content and particle size of TiH_(2)powders on thermal safety,shock wave parameters and thermal damage effects of RDX-based composite explosive were studied with the C80 microcalorimeter,air blast experiment system and colorimetric thermometry method.Experimental results showed that TiH_(2)powders could enhance the thermal stability of RDX-based composite explosive and increase its ultimate decomposition heat.The content and particle size of TiH_(2)powders also had significant effects on the thermal safety,detonation velocity,shock wave parameters,fireball temperature and duration of RDX-based composite explosives.Furthermore,the differences of TiH_(2)and Ti powders on the detonation energy output rules of RDX-based composite explosives were also compared,showing that TiH_(2)powders had better influences on improving the explosion power and thermal damage effect of RDX-based composite explosives than Ti powders,for the participation of free H_(2)released by TiH_(2)powders in the detonation process.TiH_(2)powders have important research values as a novel energetic additive in the field of military composite explosives.

关键词： RDX Hydrogen storage alloy Air blast After-burn reaction Colorimetric thermometry

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Multiscale analysis-based peridynamic simulation of fracture in porous media

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Frontiers of Structural and Civil Engineering 2024年第1期18卷 1-13页

作者： Zihao YANG Shangkun shen Xiaofei GUAN Xindang HE Junzhi CUI School of Mathematics and Statistics Northwestern Polytechnical UniversityXi’an 710072China School of Mathematical Sciences Tongji UniversityShanghai 200092China School of Mechanics Civil Engineering and ArchitectureNorthwestern Polytechnical UniversityXi’an 710072China LSEC ICMSECAcademy of Mathematics and Systems ScienceCASBeijing 100190China

The simulation of fracture in large-scale structures made of porous media remains a challenging task.Current techniques either assume a homogeneous model,disregarding the microstructure characteristics,or adopt a micro-mechanical model,which incurs an intractable computational cost due to its complex stochastic geometry and physical properties,as well as its nonlinear and multiscale features.In this study,we propose a multiscale analysis-based dual-variable-horizon peridynamics(PD)model to efficiently simulate macroscopic structural fracture.The influence of microstructures in porous media on macroscopic structural failure is represented by two PD parameters:the equivalent critical stretch and micro-modulus.The equivalent critical stretch is calculated using the microscale PD model,while the equivalent micro-modulus is obtained through the homogenization method and energy density equivalence between classical continuum mechanics and PD models.Numerical examples of porous media with various microstructures demonstrate the validity,accuracy,and efficiency of the proposed method.

关键词： porous media multiscale variable-horizon peridynamic equivalent critical stretch equivalent micro-modulus

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Experimental and numerical study regarding H-steel all-bolted connection steel frame with composite wall boards

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Earthquake Engineering and Engineering Vibration 2024年第2期23卷 427-443页

作者： Fan Min Guo Hongchao Li shen Wang Zhenshan Wang Huaqiang School of Civil Engineering and Architecture Xi’an University of TechnologyXi’an 710048China State Key Laboratory Base of Eco-Hydraulic Engineering in Arid Area Xi’an University of TechnologyXi’an 710048China

H-steel all-bolted connection steel frame structures with heat preservation and decoration composite wall boards were investigated and the seismic performances of three scaled specimens were studied.The failure modes,hysteresis curves,bearing capacity,ductility,energy dissipation capacity,stiffness degradation and strain distribution were discussed.The calculation method of structural theoretical internal force was presented.The results showed that the overall structural seismic performance was better,and the structural ductility met the demands of elastic-plastic inter-story drift angle for seismic design.The H-steel weak-axis connection structure obtained better energy dissipation capacity,and its bearing capacity and stiffness were slightly different from the strong-axis connection.The heat preservation and decoration performance of composite wallboard and the all-bolted connection of the steel frame realized prefabrication during the whole construction period.The plastic hinge of the steel beam can be moved outwards because of the L-angles,which effectively avoids stress concentration in joint areas and expands the plastic hinge range.The errors between the theoretical structural capacity calculated by the plastic analysis method and the test results were within 2.44%.In addition,structural failure mechanisms and bearing capacities were verified by the finite element(FE)analysis,and the effects of the main parameters on the structures were investigated.The FE verification results were the same as in the test.The research results provide theoretical support and technical guidance for the application of thermal insulation and decorative composite wall panels in H-shaped steel all-bolted steel frames.

关键词： composite wall boards all-bolted steel frame H-steel low-cyclic loading failure modes

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Cobalt-Catalyzed Switchable[4+1]and[4+1+1]Spirocyclization of Aromatic Amides with 2-Diazo-1H-indene-1,3(2H)-dione:Access to Spiro Indene-2,1'-isoindolinones and Spiro Isochroman-3,1'-isoindolinones

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Chinese Journal of Chemistry 2024年第4期42卷 363-369页

作者： Bin Li Mengmeng Xie Jingyu Li Nana shen Xinying Zhang Xuesen Fan State Key Laboratory of Antiviral Drugs Pingyuan LaboratoryKey Laboratory of Green Chemical Media and ReactionsKey Laboratory for Yellow River and Huai River Water Environmental Pollution ControlMinistry of EducationSchool of EnvironmentSchool of Chemistry and Chemical EngineeringHenan Normal UniversityXinxiangHenan453007 China

Herein,we report a condition-controlled divergent synthesis of spiro indene-2,1'-isoindolinones and spiro isochroman-3,1'-isoindolinones through cobalt-catalyzed formal[4+1]and[4+1+1]spirocyclization of aromatic amides with 2-diazo-1H-indene-1,3(2H)-dione.When the reaction is carried out under air in ethyl acetate,spiro indene-2,1'-isoindolinones are formed through Co(II)-catalyzed C—H/N—H[4+1]spirocyclization.When the reaction is run under O2 in CH3CN,on the other hand,spiro isochroman-3,1'-isoindolinones are generated through Baeyer-Villiger oxidation of the in situ formed spiro indene-2,1'-isoindolinones with O2 as a cheaper and environmental-friendly oxygen source.In general,these protocols have advantages such as using non-precious and earth-abundant metal catalyst,no extra additive,high efficiency and regioselectivity.A gram-scale synthesis and the removal of the directing group further highlight its utility.

关键词： Spiro indene-2,1'-isoindolinones Spiro isochroman-3,1'-isoindolinones 3d Transition metals Cobalt-catalyzed C-H Activation Switchable[4+1]and[4+1+1]spirocyclization Aromatic amides 2-Diazo-1H-indene-1,3(2H)-dione

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Deep neural network-enabled battery open-circuit voltage estimation based on partial charging data

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Journal of Energy Chemistry 2024年第3期90卷 120-132,I0005页

作者： Ziyou Zhou Yonggang Liu Chengming Zhang Weixiang shen Rui Xiong State Key Laboratory of Mechanical Transmission for Advanced Equipment&College of Mechanical and Vehicle Engineering Chongqing UniversityChongqing 400000China Department of Vehicle Engineering School of Mechanical EngineeringBeijing Institute of TechnologyBeijing 100081China Department of Electrical Engineering Harbin Institute of TechnologyHarbin 150000HeilongjiangChina School of Science Computing and Engineering TechnologiesSwinburne University of TechnologyHawthornVictoria 3122Australia

Battery management systems(BMSs) play a vital role in ensuring efficient and reliable operations of lithium-ion batteries.The main function of the BMSs is to estimate battery states and diagnose battery health using battery open-circuit voltage(OCV).However,acquiring the complete OCV data online can be a challenging endeavor due to the time-consuming measurement process or the need for specific operating conditions required by OCV estimation models.In addressing these concerns,this study introduces a deep neural network-combined framework for accurate and robust OCV estimation,utilizing partial daily charging data.We incorporate a generative deep learning model to extract aging-related features from data and generate high-fidelity OCV curves.Correlation analysis is employed to identify the optimal partial charging data,optimizing the OCV estimation precision while preserving exceptional flexibility.The validation results,using data from nickel-cobalt-magnesium(NCM) batteries,illustrate the accurate estimation of the complete OCV-capacity curve,with an average root mean square errors(RMSE) of less than 3 mAh.Achieving this level of precision for OCV estimation requires only around 50 s collection of partial charging data.Further validations on diverse battery types operating under various conditions confirm the effectiveness of our proposed method.Additional cases of precise health diagnosis based on OCV highlight the significance of conducting online OCV estimation.Our method provides a flexible approach to achieve complete OCV estimation and holds promise for generalization to other tasks in BMSs.

关键词： Lithium-ion battery Open-circuit voltage Health diagnosis Deep learning

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A"messenger zone hypothesis"based on the visual three-dimensional spatial distribution of motoneurons innervating deep limb muscles

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Neural Regeneration Research 2024年第7期19卷 1559-1567页

作者： Chen Huang shen Wang Jin Deng Xinyi Gu Shuhang Guo Xiaofeng Yin MoE Key Laboratory for Trauma Treatment and Nerve Regeneration Peking UniversityBeijingChina Department of Orthopedics and Trauma Peking University People’s HospitalBeijingChina

Coordinated contraction of skeletal muscles relies on selective connections between the muscles and multiple classes of the spinal motoneuro ns.Howeve r,current research on the spatial location of the spinal motoneurons innervating differe nt muscles is limited.In this study,we investigated the spatial distribution and relative position of different motoneurons that control the deep muscles of the mouse hindlimbs,which were innervated by the obturator nerve,femoral nerve,inferior gluteal nerve,deep pe roneal nerve,and tibial nerve.Locations were visualized by combining a multiplex retrograde tracking technique compatible with three-dimensional imaging of solvent-cleared o rgans(3DISCO)and 3-D imaging technology based on lightsheet fluorescence microscopy(LSFM).Additionally,we propose the hypothesis that"messenger zones"exist as interlaced areas between the motoneuron pools that dominate the synergistic or antagonist muscle groups.We hypothesize that these interlaced neurons may participate in muscle coordination as messenger neurons.Analysis revealed the precise mutual positional relationships among the many motoneurons that innervate different deep muscles of the mouse.Not only do these findings update and supplement our knowledge regarding the overall spatial layout of spinal motoneurons that control mouse limb muscles,but they also provide insights into the mechanisms through which muscle activity is coordinated and the architecture of motor circuits.

关键词： 3-D imaging motoneurons multiple retrograde tracing muscle coordination skeletal muscle spatial distribution optical tissue clearing

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Pyruvate kinase M in germ cells is essential for sperm motility and male fertility but not spermatogenesis

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Asian Journal of Andrology 2024年第2期26卷 212-219页

作者： Gao-Qing Qian Xiao-Chen Wang Xi Zhang Bin shen Qiang Liu State Key Laboratory of Reproductive Medicine and Offspring Health Nanjing Medical UniversityNanjing 211166China Shanghai Key Laboratory of Reproductive Medicine Department of HistoembryologyGenetics and Developmental BiologyShanghai Jiao Tong University School of MedicineShanghai 200025China State Key Laboratory of Molecular Biology Shanghai Key Laboratory of Molecular AndrologyShanghai Institute of Biochemistry and Cell BiologyCenter for Excellence in Molecular Cell ScienceChinese Academy of SciencesUniversity of Chinese Academy of SciencesShanghai 200031China

Male germ cells employ specific metabolic pathways throughout their developmental stages.In a previous study,we discovered heightened expression of pyruvate kinase M(PKM),a pivotal glycolytic enzyme,in spermatogonia and spermatids.To gain deeper insights into PKM's roles in spermatogenesis,sperm function,and male fertility,we engineered a conditional-knockout mouse model(Pkm-vkO mice)to selectively disrupt the Pkm gene within germ cells.Despite maintaining regular testicular histology and sperm morphology,the male Pkm-vko mice were infertility,characterized by significant impairments in sperm motility and adenosine triphosphate(ATP)generation.In addition,Pkm-null spermatozoa exhibited similar deficits in protein tyrosine phosphorylation linked to capacitation,as well as compromised performance in in vitro fertilization experiments.To conclude,PKM's presence is not obligatory for the entirety of spermatogenesis in male germ cells;however,it emerges as a critical factor influencing sperm motility and overall male fertility.

关键词： glycolysis male fertility pyruvate kinase M sperm motility spermatogenesis

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Pattern dynamics and bifurcation in delayed SIR network with diffusion network

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International Journal of Biomathematics 2024年第2期17卷 87-111页

作者： Wenjie Yang Qianqian Zheng Jianwei shen School of Science Xuchang University XuchangHenan 461000P.R.China School of Mathematics and Statistics North China University of Water Resources and Electric Power Zhengzhou Henan 450046P.R.China

The spread of infectious diseases often presents the emergent properties,which leads to more dificulties in prevention and treatment.In this paper,the SIR model with both delay and network is investigated to show the emergent properties of the infectious diseases'spread.The stability of the SIR model with a delay and two delay is analyzed to illustrate the effect of delay on the periodic outbreak of the epidemic.Then the stability conditions of Hopf bifurcation are derived by using central manifold to obtain the direction of bifurcation,which is vital for the generation of emergent behavior.Also,numerical simulation shows that the connection probability can affect the types of the spatio-temporal patterns,further induces the emergent properties.Finally,the emergent properties of COVID-19 are explained by the above results.

关键词： Pattern dynamics SIR model random network connection probability Hopf bifurcation

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