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Facile intercalation of alkali ions in WO_(3)for modulated electronic and optical properties:Implications for artificial synapses and chromogenic application

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Science China(Physics,Mechanics & Astronomy) 2024年第2期67卷 149-160页

作者： Changmeng Huan Zihan Lu Silin Tang Yongqing Cai Qingqing ke School of Microelectronics Science and Technology Sun Yat-sen UniversityZhuhai 519082China Guangdong Provincial key Laboratory of Optoelectronic Information Processing Chips and Systems Sun Yat-sen UniversityZhuhai 519082China Institute of Applied Physics and Materials Engineering University of MacaoTaipaMacao 999078China

Tungsten oxides(WO_(3))are widely recognized as multifunctional systems owing to the existence of rich *** diverse phases exhibit distinct octahedra-tilting patterns,generating substantial tunnels that are ideally suited for ***,a quantitative comprehension regarding the impact of distinct phases on the kinetics of intercalated conducting ions remains ***,we employ first-principles calculations to explore the spatial and orientational correlations of ion transport inγ-and h-WO_(3),shedding light on the relationship between diffusion barriers and the size of the conducting *** findings reveal that different types and concentrations of alkali-metals induce distinct and continuous lattice distortions in WO_(3)***,γ-WO_(3)is more appropriate to accommodate Li+ions,exhibiting a diffusion barrier and coefficient of 0.25 eV and 9.31×10^(-8)cm^(2)s^(-1),***,h-WO_(3)features unidirectional and sizeable tunnels that facilitate the transport of K+ions with an even lower barrier and a high coefficient of 0.11 e V and 2.12×10^(-5)cm^(2)s^(-1),***,the introduction of alkali-metal into WO_(3)tunnels tends to introduce n-type conductivity by contributing s-electrons to the unoccupied W 5d states,resulting in enhanced conductivity and tunable electronic *** alkali metals in WO_(3)tunnels are prone to charge transfer,forming small polaronic states and modulating the light absorption in the visible and nearinfrared *** tunable electronic and optical properties,combined with the high diffusion coefficient,underscore the potential of WO_(3)in applications such as artificial synapses and chromogenic devices.

关键词： WO_(3)polymorphs ion insertion kinetic activity tunable electronic and optical properties iontronics

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Base-controlled NHC-Ru-catalyzed transfer hydrogenation andα-methylation/transfer hydrogenation of ketones using methanol

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Chinese Chemical Letters 2024年第7期35卷 276-280页

作者： Ming Huang Xiuju Cai Yan Liu Zhuofeng ke School of pharmacy School of clinical pharmacyGuangdong Pharmaceutical UniversityGuangzhou 510006China School of Materials Science&Engineering PCFM LabSchool of ChemistrySun Yat-sen UniversityGuangzhou 510275China School of Chemical Engineering and Light Industry Guangdong University of TechnologyGuangzhou 510006China

Herein,we report the NHC-Ru catalyst system that realizes the chemo-selective transformation of ketones with *** simply changing the base,a broad range of structurally diverse ketones,could be selectively and efficiently converted to the correspondingβ-methylated secondary alcohols or secondary ***,this catalytic system was very effective for the synthesis of bio-related molecules and deuterated alcohols,as well as the three-component coupling between methyl ketones,primary alcohols,and *** reaction mechanism was further revealed by experiment and DFT mechanistic investigations.

关键词： Ru complexes Methanol ketones β-Methylated secondary alcohols Transfer hydrogenation

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Single-atom Co alloyed Ru for electrocatalytic nitrite reduction to ammonia

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Nano Research 2024年第5期17卷 3660-3666页

作者： Fuzhou Wang Jiaqi Xiang Guike Zhang Kai Chen ke Chu School of Materials Science and Engineering Lanzhou Jiaotong UniversityLanzhou 730070China

Electrochemical converting NO_(2)^(-)into NH_(3)(NO_(2)RR)holds an enormous prospect to attain efficient NH_(3) electrosynthesis and polluted NO_(2)^(-)***,we report single-atom Co alloyed Ru(Co_(1)Ru)as an efficient and durable NO_(2)RR *** experimental and theoretical investigations reveal that single-atom Co alloying of Ru enables the construction of Co_(1)-Ru heteronuclear active sites to synergistically promote NO_(2)^(-)activation/hydrogenation while suppressing the competitive H_(2) evolution,rendering the greatly enhanced activity and selectivity of Co_(1)Ru towards the NO_(2)***,Co_(1)Ru assembled within a flow cell exhibits an impressive NH_(3) yield rate of 2379.2μmol·h^(-1)·cm^(-2) with an NH_(3)-Faradaic efficiency of 92%at a high current density of 415.9 mA·cm^(-2),which is among the highest NO_(2)RR performances reported to date.

关键词： electrochemical converting NO_(2)-into NH3 single-atom alloys theoretical computations industrial-level current density

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Steady-state multiscale CFD simulation of a circulating fl uidized bed riser

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PARTICUOLOGY 2024年第10期93卷 54-64页

作者： ke, Zhaojie Tian, Yujie Li, Fei Lu, Bona Wang, Wei Chinese Acad Sci Inst Proc Engn State Key Lab Mesosci & Engn Beijing 100190 Peoples R China Univ Chinese Acad Sci Sch Chem Engn Beijing 100049 Peoples R China

Compared to transient simulation, steady-state simulation of circulating fluidized bed risers is more efficient, but is also harder to perform due to the complex scale-dependency of dense gas-solid flows. In this work, steady-state computational fluid dynamics (CFD) simulation of a riser is performed using the steady energy-minimization multi-scale (EMMS) drag. It is found that the steady state corresponds to an extremely large scale of length and time, thus the grid size required in steady-state simulation is larger than that in transient one. The time-averaged two-fluid model (TFM) coupled with the steady-state EMMS/1M drag model enables a good prediction of the S-shaped, axial solids distribution and the choking transition, whereas the two-phase turbulence and solids stress models are important in predicting the radially core-annular distribution of solids. So far as we know, this is the first time that one can predict the choking transition in a steady-state CFD simulation. Further improvement may need an EMMS modeling of the time-averaged solid stresses. (c) 2024 Chinese Society of Particuology and Institute of Process Engineering, Chinese Academy of Sciences. Published by Elsevier B.V. All rights are reserved, including those for text and data mining, AI training, and similar technologies.

关键词： Fluidization Drag force Steady state Simulation Mesoscale GAS-PARTICLE FLOW STRUCTURE-DEPENDENT ANALYSIS FILTERED 2-FLUID MODELS FLUIDIZED-BED NUMERICAL-SIMULATION SOLID FLOWS EULERIAN SIMULATION VERTICAL PIPE EMMS VALIDATION

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An isogeometric approach for nonlocal bending and free oscillation of magneto-electro-elastic functionally graded nanobeam with elastic constraints

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Frontiers of Structural and Civil Engineering 2024年第9期18卷 1401-1423页

作者： Thu Huong NGUYEN THI Van ke TRAN Quoc Hoa PHAM School of Mechanical and Automotive Engineering Hanoi University of IndustryHanoi 100000Vietnam Faculty of Mechanical Engineering Le Quy Don Technical UniversityHanoi 100000Vietnam Faculty of Engineering and Technology Nguyen Tat Thanh UniversityHo Chi Minh City 700000Vietnam

This work uses isogeometric analysis(IGA),which is based on nonlocal hypothesis and higher-order shear beam hypothesis,to investigate the static bending and free oscillation of a magneto-electro-elastic functionally graded(MEE-FG)nanobeam subject to elastic boundary constraints(BCs).The magneto-electric boundary condition and the Maxwell equation are used to calculate the variation of electric and magnetic potentials along the thickness direction of the *** study is innovative since it does not use the conventional boundary ***,an elastic system of straight and torsion springs with controllable stiffness is used to support nanobeams’beginning and end positions,creating customizable *** governing equations of motion of nanobeams are established by applying Hamilton’s principle and IGA is used to determine deflections and natural frequency *** studies were performed to evaluate the convergence and accuracy of the proposed *** from this,the impact of the input parameters on the static bending and free oscillation of the MEE-FG nanobeam is examined in *** findings could be valuable for analyzing and designing innovative structures constructed of functionally graded MEE materials.

关键词： elastic boundary conditions isogeometric analysis nanobeam via nonlocal theory grading of magneto-electro-elastic functions

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Highly cycle-stable VOPO_(4)-based cathodes for magnesium ion batteries:Insight into the role of interlayer engineering in batteries performance

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Nano Research 2024年第7期17卷 6127-6138页

作者： Jiahe Zhang Jing Shang Xiaojun Zhang ke Wang Yihe Zhang Engineering Research Center of Ministry of Education for Geological Carbon Storage and Low Carbon Utilization of Resources Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid WastesNational Laboratory of Mineral MaterialsSchool of Materials Science and TechnologyChina University of Geosciences(Beijing)Beijing 100083China

It is the sluggish ion migration kinetics that seriously affects the practical performance of the magnesium ion *** though an electrode material design using rational interlayer engineering method could effectively solve this issue,the optimal interlayer distance remains ***,various VOPO_(4)-based electrodes with expanded interlayer spacing were fabricated and the relationship between interlayer structure and battery performance was *** analysis combined with computations unveils the existence of an optimal interlayer structure,as inadequate expansion failed to fully utilization of the material performance,while excessive expansion degraded the electrode *** them,the electrode with triethylene glycol(TEG)intercalation exhibited optimized performance,maintaining excellent cycling stability(191.3 mAh·g^(−1)after 800 cycles).Density functional theory(DFT)demonstrated the effectiveness and limitations to lowering the migration energy barrier by expanding the interlayer *** addition,systematic mechanism research revealed the Mg^(2+)storage process:The stepwise shuttling of Mg^(2+)along the directions that lie in(001)plane triggers two pairs of redox processes,namely V^(5+)/V^(4+)and V^(4+)/V^(3+).This study,regulation of layer spacing to achieve the best integrated performance of electrodes,could deepen the understanding of interlayer engineering and guide the design of advanced multivalent-ion batteries.

关键词： magnesium ion batteries layered electrodes interlayer engineering energy storage mechanisms high kinetics

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One-step pore diffusion mechanism of Li^(+) in solid electrolyte interphase for fast-charging lithium-ion battery

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Rare Metals 2024年第7期43卷 3438-3440页

作者： Shan Wang Shu-Yuan Liu Alireza Khataee ke-Zhen Qi College of Pharmacy Dali UniversityDali 671000China Research Laboratory of Advanced Water and Wastewater Treatment Processes Department of Applied ChemistryFaculty of ChemistryUniversity of TabrizTabriz 51666-16471Iran Peoples'Friendship University of Russia(RUDN University) Moscow117198Russian Federation

Li^(+) transport in solid electrolyte interphase is recognized as important factor,which has become a research ***,an one-step pore diffusion mechanism for Li^(+) transport through solid electrolyte interphase was proposed,which was different from previous two-step *** one-step pore diffusion process could effectively eliminate the dynamic limitations of Li^(+) transport in solid electrolyte interphase (SEI) for rapid charging *** work will contribute to the development of rapid charging lithium-ion batteries.

关键词： battery mechanism electrolyte

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A hybrid attention model based on first-order statistical features for smoke recognition

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Science China(Technological Sciences) 2024年第3期67卷 809-822页

作者： GUO Nan LIU JiaHui DI keXin GU ke QIAO JunFei Beijing Laboratory of Smart Environmental Protection Beijing Key Laboratory of Computational Intelligence and Intelligent SystemBeijing Artificial Intelligence InstituteBeijing 100124China Faculty of Information Technology Beijing University of TechnologyBeijing 100124China

Smoke and fire recognition are of great importance on foreseeing fire disasters and preventing environmental pollution by monitoring the burning process of objects(e.g., straw, fuels). However, since fire images suffer from problems like the variability of the features, complexity of scenarios, interference from background, changeable weather conditions as well as image quality problems, identifying smoke and fire accurately and promptly from a given image still remains a substantial challenge. Automatically learning the features of smoke images by CNNs has improved the target recognition ability compared to traditional approaches,nonetheless, convolutions and pooling operations in CNNs may cause severe information loss which may lead to *** tackle the above problems, this paper proposed a hybrid attention model based on the characteristics of smoke images. This model adopted multiple optimized attention mechanism in several stages to quickly and precisely capture the important features,achieving state-of-the-art performance on smoke and fire recognition in terms of accuracy and speed. Our proposed module mainly consists of two stages: pooling and attention. In the first stage, we conducted several newly proposed first-order pooling methods. Through traversing the data space in a larger scope, features are better reserved, thus constructing a more intact feature space of smoke and fire in an image. In the second stage, feature maps are aggregated together to perform channel and spatial attention. The channel and spatial dependencies allow us to quickly catch the important features presented in an image. By fully exploring the feature space and prominent salient features, characteristics of smoke and fire are better presented so as to obtain better smoke and fire detection results. Experiments have been conducted on public smoke detection dataset and new proposed fine-grained smoke and fire detection database. Experimental results revealed that the propose

关键词： hybrid attention first-order pooling smoke and fire detection deep convolutional neural networks

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Hybrid Dynamic Variables-Dependent Event-Triggered Fuzzy Model Predictive Control

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IEEE/CAA Journal of Automatica Sinica 2024年第3期11卷 723-733页

作者： Xiongbo Wan Chaoling Zhang Fan Wei Chuan-ke Zhang Min Wu IEEE the School of Automation China University of Geosciencesthe Hubei Key Laboratory of Advanced Control and Intelligent Automation for Complex Systemsand the Engineering Research Center of Intelligent Technology for Geo-ExplorationMinistry of EducationWuhan 430074China

This article focuses on dynamic event-triggered mechanism(DETM)-based model predictive control(MPC) for T-S fuzzy systems.A hybrid dynamic variables-dependent DETM is carefully devised,which includes a multiplicative dynamic variable and an additive dynamic *** addressed DETM-based fuzzy MPC issue is described as a “min-max” optimization problem(OP).To facilitate the co-design of the MPC controller and the weighting matrix of the DETM,an auxiliary OP is proposed based on a new Lyapunov function and a new robust positive invariant(RPI) set that contain the membership functions and the hybrid dynamic variables.A dynamic event-triggered fuzzy MPC algorithm is developed accordingly,whose recursive feasibility is analysed by employing the RPI *** the designed controller,the involved fuzzy system is ensured to be asymptotically *** examples show that the new DETM and DETM-based MPC algorithm have the advantages of reducing resource consumption while yielding the anticipated performance.

关键词： Dynamic event-triggered mechanism(DETM) hybrid dynamic variables model predictive control(MPC) robust positive invariant(RPI)set T-S fuzzy systems

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Frontiers of Computer Science 2024年第3期18卷 227-229页

作者： Qianwen GOU Yunwei DONG YuJiao WU Qiao ke School of Computer Science Northwestern Polytechnical UniversityXi’an 710129China School of Mathematics and Statistics Northwestern Polytechnical UniversityXi’an 710129China

1 Introduction Program retrieval aims to enable the flexible retrieval of program snippets based on a natural language query,significantly accelerating software development *** shows that over 60%of developers perform program retrieval daily[1].Recent years have witnessed an increasing interest in deep learning-based program retrieval,which aims to construct embedding representations for program snippets and ***,the distribution of natural languages and programs is inconsistent,resulting in a semantic *** critical challenge is to bridge the semantic gap between the programming language and natural language,and accurately measure their similarity.

关键词： semantic similarity retrieval

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