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Revealing the role of calcium ion intercalation of hydrated vanadium oxides for aqueous zinc-ion batteries

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Journal of Energy Chemistry 2024年第8期95卷 9-19,I0001页

作者： Tao zhou xuan Du Guo Gao Key Laboratory for Thin Film and Micro Fabrication of the Ministry of Education School of Sensing Science and EngineeringSchool of Electronic Information and Electrical EngineeringShanghai Jiao Tong UniversityShanghai 200240China

Exploring suitable high-capacity V_(2)O_(5)-based cathode materials is essential for the rapid advancement of aqueous zinc ion batteries(ZIBs).However,the typical problem of slow Zn^(2+)diffusion kinetics has severely limited the feasibility of such *** this work,unique hydrated vanadates(CaVO,BaVO)were obtained by intercalation of Ca^(2+)or Ba^(2+)into hydrated vanadium *** the CaVO//Zn and BaVO//Zn batteries systems,the former delivered up to a 489.8 mAh g^(-1)discharge specific capacity at 0.1 A g^(-1).Moreover,the remarkable energy density of 370.07 Wh kg^(-1)and favorable cycling stability yard outperform BaVO,pure V_(2)O_(5),and many reported cathodes of similar ionic intercalation *** addition,pseudocapacitance analysis,galvanostatic intermittent titration(GITT)tests,and Trasatti analysis revealed the high capacitance contribution and Zn^(2+)diffusion coefficient of CaVO,while an in-depth investigation based on EIS elucidated the reasons for the better electrochemical performance of ***,ex-situ XRD,XPS,and TEM tests further demonstrated the Zn^(2+)insertion/extraction and Zn-storage mechanism that occurred during the cycle in the CaVO//Zn battery *** work provides new insights into the intercalation of similar divalent cations in vanadium oxides and offers new solutions for designing cathodes for high-capacity aqueous ZIBs.

关键词： Aqueous zinc ion batteries Cathode materials Ion pre-intercalation Vanadium oxides Energy storage mechanism

Copper-catalyzed enantioselective desymmetrizing C(sp^(2))-H functionalization of azide-ynamides via α-imino copper carbenes

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Science China Chemistry 2024年第9期67卷 2982-2988页

作者： En-He Huang Li-Gao Liu You-wei Yin Hao-xuan Dong Ji-Jia zhou Xin Lu Bo zhou Long-Wu Ye Key Laboratory for Chemical Biology of Fujian Province and State Key Laboratory of Physical Chemistry of Solid Surfaces College of Chemistry and Chemical EngineeringXiamen UniversityXiamen 361005China State Key Laboratory of Organometallic Chemistry Shanghai Institute of Organic ChemistryChinese Academy of SciencesShanghai 200032China

α-Imino metal carbenes are versatile intermediates in organic synthesis,and have broad applications in the assembly of divergent ***,the catalytic enantioselective desymmetrization based onα-imino metal carbenes has not been developed to ***,we disclose an enantioselective desymmetrizing C(sp^(2))-H functionalization of azide-ynamides viaα-imino copper carbenes,leading to the efficient assembly of divergent chiral indoloazepines in generally moderate to excellent yields with high ***,this reaction represents the first enantioselective desymmetrization based onα-imino metal *** synthetic transformations and biological tests show the potential utility of this ***,computational studies are employed to elucidate the reaction mechanism and the origin of enantioselectivity.

关键词： enantioselective desymmetrization metal carbenes copper catalysis nitrene transfer alkynes

Accurate atomic scanning transmission electron microscopy analysis enabled by deep learning

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Nano Research 2024年第4期17卷 2971-2980页

作者： Tianshu Chu Lei zhou Bowei Zhang Fu-Zhen xuan Shanghai Key Laboratory of Intelligent Sensing and Detection Technology East China University of Science and TechnologyShanghai 200237China School of Mechanical and Power Engineering East China University of Science and TechnologyShanghai 200237China Key Laboratory of Pressure Systems and Safety of Ministry of Education East China University of Science and TechnologyShanghai 200237China

Currently,the machine learning(ML)-based scanning transmission electron microscopy(STEM)analysis is limited in the simulative stage,its application in experimental STEM is needed but ***,we built up a universal model to analyze the vacancy defects and single atoms accurately and rapidly in experimental STEM images using a full convolution *** our model,the unavoidable interference factors of noise,aberration,and carbon contamination were fully considered during the training,which were difficult to be considered in the *** toward the simultaneous identification of various vacancy types and low-contrast single atoms in the low-quality STEM images,our model showed rapid process speed(45 images per second)and high accuracy(>95%).This work represents an improvement in experimental STEM image analysis by ML.

关键词： deep learning low-dimensional materials atomic defects single atoms

Data-driven rational design of single-atom materials for hydrogen evolution and sensing

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Nano Research 2024年第4期17卷 3352-3358页

作者： Lei zhou Pengfei Tian Bowei Zhang Fu-Zhen xuan Shanghai Key Laboratory of Intelligent Sensing and Detection Technology East China University of Science and TechnologyShanghai 200237China School of Mechanical and Power Engineering East China University of Science and TechnologyShanghai 200237China Key Laboratory of Pressure Systems and Safety of Ministry of Education East China University of Science and TechnologyShanghai 200237China

Herein we proposed a data-driven high-throughput principle to screen high-performance single-atom materials for hydrogen evolution reaction(HER)and hydrogen sensing by combing the theoretical computations and a topology-based multi-scale convolution kernel machine learning *** the rational training by 25 groups of data and prediction of all 168 groups of single-atom materials for HER and sensing,respectively,a high prediction accuracy(>0.931 R^(2) score)was achieved by our *** show that the promising HER catalysts include Pt atoms in C_(4) and Sc atoms in C_(1)N_(3) coordination ***,Y atoms in C_(4) coordination environment and Cd atoms in C_(2)N_(2)-ortho coordination environment were predicted with great potential as hydrogen sensing *** method provides a way to accelerate the discovery of innovative materials by avoiding the time-consuming empirical principles in experiments.

关键词： machine learning single-atom materials sensing hydrogen evolution

Perturbation of autophagy pathways in murine alveolar macrophage by 2D TMDCs is chalcogen-dependent

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Journal of Environmental Sciences 2024年第1期135卷 97-107页

作者： Xiaofei zhou weitao Jin Rui Zhang xuan Mao Jianbo Jia Hongyu zhou College of Science&Technology Hebei Agricultural UniversityHuanghua 061100China Institute of Environmental Research at Greater Bay Area Key Laboratory for Water Quality and Conservation of the Pearl River DeltaMinistry of EducationGuangzhou UniversityGuangzhou 510006China

Increasing risks of incidental and occupational exposures to two-dimensional transition metal dichalcogenides(2D TMDCs)due to their broad application in various areas raised their public health *** the composition-dependent cytotoxicity of 2D TMDCs has been well-recognized,how the outer chalcogenide atoms and inner transition metal atoms differentially contribute to their perturbation on cell homeostasis at non-lethal doses remains to be *** the present work,we compared the autophagy induction and related mechanisms in response to WS_(2),NbS_(2),WSe_(2)and Nb Se_(2)nanosheets exposures in MH-S murine alveolar *** these 2D TMDCs had comparable physicochemical properties,overall cytotoxicity and capability in triggering autophagy in MH-S cells,but showed outer chalcogen-dependent subcellular localization and activation of autophagy ***,WS_(2)and NbS_(2)nanosheets adhered on the cell surface and internalized in the lysosomes,and triggered m TOR-dependent activation of ***,WSe_(2)and Nb Se_(2)nanosheets had extensive distribution in cytoplasm of MH-S cells and induced autophagy in an m TOR-independent ***,the 2D TMDCs-induced perturbation on autophagy aggravated the cytotoxicity of respirable benzo[a]*** findings provide a deeper insight into the potential health risk of environmental 2D TMDCs from the perspective of homeostasis perturbation.

关键词： Chalcogen group Autophagy pathway Cell function Endosomal escape Inhalation toxicity

Intelligent Reflecting Surface Assisted Transmission Optimization Strategies in Wireless Networks

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China Communications 2024年第4期21卷 120-135页

作者： He Xinxin Qi xuan Meng wei Liu wei Yin Changchuan School of Electronic Engineering Beijing University of Posts and TelecommunicationsBeijing 100876China

Wireless Power Transfer(WPT)technology can provide real-time power for many terminal devices in Internet of Things(IoT)through millimeterWave(mmWave)to support applications with large capacity and low *** the intelligent reflecting surface(IRS)can be adopted to create effective virtual links to address the mmWave blockage problem,the conventional solutions only adopt IRS in the downlink from the Base Station(BS)to the users to enhance the received signal *** practice,the reflection of IRS is also applicable to the uplink to improve the spectral *** is a challenging to jointly optimize IRS beamforming and system resource allocation for wireless energy acquisition and information *** this paper,we first design a Low-Energy Adaptive Clustering Hierarchy(LEACH)clustering protocol for clustering and data ***,the problem of maximizing the minimum system spectral efficiency is constructed by jointly optimizing the transmit power of sensor devices,the uplink and downlink transmission times,the active beamforming at the BS,and the IRS dynamic *** solve this non-convex optimization problem,we propose an alternating optimization(AO)-based joint solution *** results show that the use of IRS dynamic beamforming can significantly improve the spectral efficiency of the system,and ensure the reliability of equipment communication and the sustainability of energy supply under NLOS link.

关键词： intelligent reflecting surface(IRS) joint optimization millimeter wave wireless information transmission(WIT) wireless power transfer(WPT)

Segregation of binary particles in gas-solid fluidized bed

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Frontiers of Chemical Science and Engineering 2024年第6期18卷 113-121页

作者： Yaxiong Yu Feng Lu xuan He Fei wei Chenxi Zhang Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology Department of Chemical EngineeringTsinghua UniversityBeijing 100084China School of Chemical Engineering and Technology Xi’an Jiaotong UniversityXi’an 710049China Ordos Laboratory Ordos 017010China Institute for Carbon Neutrality Tsinghua UniversityBeijing 100084China

Particle segregation and mixing behavior play a crucial role in industrial *** study investigates the saturated jetsam fraction,which indicates the maximum capacity of flotsam to entrain jetsam,in an initially separated binary fluidized bed with particle size *** to the value of saturated jetsam fraction,three distinct regimes-segregation,mixing,and an intermediate regime-are ***,intriguing relationships between the saturated jetsam fraction and superficial gas velocity are observed,exhibiting monotonic trends in both the segregation and mixing regimes,while a unique volcano-shaped curve in the intermediate ***,a comprehensive entrainment model based on two-fluid model elucidates the observed phenomena,emphasizing the significance of mixing behavior in fluidized layer on the saturated jetsam *** work offers potential insights for evaluating segregation in industrial applications.

关键词： fluidized bed segregation binary bubbles entrainment

Phase field modeling of ferroelastic variant switching in yttria-stabilized t'zirconia with strain gradient elasticity and interface tension

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Science China(Technological Sciences) 2024年第5期67卷 1443-1457页

作者： zhou QianQian wei YueGuang zhou YiChun YANG Li College of Engineering BIC-ESATPeking UniversityBeijing100871China School of Advanced Materials and Nanotechnology Xidian UniversityXi’an710126China Frontier Research Center of Thin Films and Coatings for Device Applications Academy of Advanced Interdisciplinary ResearchXidian UniversityXi’an710126China

The 6–8 wt%yttria-stabilized zirconia with a tetragonal structure(t’-YSZ)is extensively employed in thermal barrier *** exceptional fracture toughness of t’-YSZ can be attributed to its distinctive ferroelastic toughening *** and interface tension play a critical role in ferroelastic variant switching at the micro-and *** paper presents an original thermodynamically consistent phase field(PF)theory for analyzing ferroelastic variant switching at the micro-and nano-scale of t’-*** theory incorporates strain gradient elasticity using higher-order elastic energy and interface tension tensor via geometric nonlinearity to represent biaxial tension resulting from interface ***,a mixed-type formulation is employed to implement the higher-order theory through the finite element *** an interface in equilibrium,the effects of strain gradient elasticity result in a more uniform distribution of stresses,whereas the presence of interface tension tensor significantly amplifies the stress magnitude at the *** introduction of an interface tension tensor increases the maximum value of stress at the interface by a factor of 4 to *** nucleation and evolution of variants at a pre-existing crack tip in a mono-phase t’-YSZ have also been *** strain gradient elasticity is capable of capturing the size effect of ferroelastic variant switching associated with microstructures in ***,when the grain size approaches that of the specimen,the critical load required for variant switching at the crack tip increases,resulting in greater dissipation of elastic energy during ferroelastic variant ***,the interface tension accelerates the evolution of *** presented framework exhibits significant potential in modeling ferroelastic variant switching at the micro-and nano-scale.

关键词： thermodynamics strain gradient elasticity interface tension phase field method ferroelastic variant switching

Determination of trace lead and mercury in airborne particles by hydride generation atomic fluorescence spectrometry

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Journal of Environmental Science and Engineering 2009年第1期3卷 14-20页

作者： LIANG Shu-xuan zhou wei-jing SUN Han-wen College of Chemistry and Environmental Science Hebei University Baoding 071002 China

A new method for determination of trace lead and mercury by hydride generation atomic fluorescence spectrometry （HG-AFS） was established. Lead was determined in the medium of citric acid using potassium ferricyanide （K3Fe（CN）6） as oxidant. Ni enhanced the fluorescence signals in this system. Mercury was determined in the medium of nitric acid using mixture of thiourea and ascorbic acid as masking reagent, sodium dioctylsulphosuccinate （SDSS） as enhancing reagent. The working mechanism of the hydride generation of lead and mercury was discussed. Interferences of some coexisting ions were studied systematically and the determination conditions were optimized. Under the optimized conditions, the detection limits of the method were 0.31μg.L^-1 for lead and 0.023 μg·L^-1 for mercury, and the relative standard deviations based on eleven determinations of 5.00 μg·L^-1 standard of Pb and Hg, were 2.6% for Pb and 2.2 % for Hg. This method was applied to the analysis of lead and mercury in four different diameter airborne particles after microwave digestion. Results suggested heavy metal elements easily concentrated in smaller particles.

关键词： microwave digestion-atomic fluorescence spectrometry atmosphere particles lead mercury