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Modulated noble metal/2D MOF heterostructures for improved hydrogen storage of MgH2

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Rare Metals 2024年第4期43卷 1672-1685页

作者： Zeng-Yi Li Li-Xian Sun Fen Xu Yu-Mei Luo Yong-Peng Xia Sheng Wei Chen-Chen Zhang Ri-Guang Cheng Chao-Feng Ye Meng-Yuan Liu Ju-Lan Zeng Zhong Cao Hong-Ge Pan School of Material Science and Engineering Guilin University of Electronic Technology School of Chemistry and Chemical Engineering Changsha University of Science and Technology Institute of Science and technology for New Energy Xi'an Technological University

The conjugation of external species with twodimensional（2D） materials has broad application prospects.In this study,we have explored the potential of noble metal/2D MOF heterostructures in hydrogen storage.Specifically,the MgH2-Ni-MOF@Pd system has shown remarkable hydrogen desorption/sorption performances,starting to liberate hydrogen at 181 0C,which is 230 0C lower than that of pristine MgH2.Under the catalytic effect of Ni-MOF@Pd,the dehydrogenation apparent activation energy of MgH2 is noticeably decreased from（133.5 ± 17.5） to（34.58 ± 1.87） kJ·mol-1,and the hydrogenation apparent activation energy is reduced from（70.41 ± 7.43） to（25.78 ± 4.64） kJ·mol-1,which is lowered by 63.4%.The fully-dehydrogenated MgH2-NiMOF@Pd composite rapidly uptakes hydrogen,with 2.62wt% at 100℃ and 6.06 wt% at 150℃ within 300 s,respectively.The mechanism analysis of MgH2 catalyzed by Ni-MOF@Pd has revealed that the transformation of Mg2Ni and Mg2NiH4could act as a "hydrogen pump",providing numerous channels for fast diffusion and transport of hydrogen atoms.Moreover,in the dehydrogenation process,the element Pd reacts with MgH2to form the MgPd alloy phase,which makes MgH2take precedence to decompose through the Mg-Pd alloy rather than self-decomposition,further reducing thermal stability and improving de/hydrogenation kinetics.The synergistic effect of Mg-Pd,Mg2Ni,and the special ultra-thin 2D sheet structure of the additive is the main reason for the good hydrogen storage property of MgH2-Ni-MOF@Pd.Our findings provide inspiration for designing efficient multifunctional additives with unique morphologies to optimize the hydrogen desorption/sorption behaviors of hydrogen storage materials.

关键词： Hydrogen storage Magnesium hydride 2D metal-organic framework nanosheets Ni/Pd Synergistic catalysis

Effect of strain on structure and electronic properties of monolayer C_(4)N_(4)

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Chinese Physics B 2024年第5期33卷 595-600页

作者：陈昊徐瑛赵家石周丹 School of Physics Changchun University of Science and TechnologyChangchun 130022China School of Computer Science and technology Changchun University of Science and TechnologyChangchun 130022China

The first-principles calculations are performed to examine structural,mechanical,and electronic properties at large strain for a monolayer C_(4)N_(4),which has been predicted as an anchoring promising material to attenuate shuttle effect in Li–S batteries stemming from its large absorption energy and low diffusion energy barrier.Our results show that the ideal strengths of C_(4)N_(4)under tension and pure shear deformation conditions reach 13.9 GPa and 12.5 GPa when the strains are 0.07 and 0.28,respectively.The folded five-membered rings and diverse bonding modes between carbon and nitrogen atoms enhance the ability to resist plastic deformation of C_(4)N_(4).The orderly bond-rearranging behaviors under the weak tensile loading path along the[100]direction cause the impressive semiconductor–metal transition and inverse semiconductor–metal transition.The present results enrich the knowledge of the structure and electronic properties of C_(4)N_(4)under deformations and shed light on exploring other two-dimensional materials under diverse loading conditions.

关键词： two-dimensional materials strain effect structural evolution electronic properties

Vector field path following for a micro flapping-wing robot

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Science China(Information Sciences) 2024年第6期67卷 442-444页

作者： Haifeng HUANG Yingte LIU Tao NIU Chang WANG Yao ZOU Wei HE School of Intelligence Science and technology University of Science and Technology Beijing Institute of Artificial Intelligence University of Science and Technology Beijing Key Laboratory of Intelligent Bionic Unmanned Systems Ministry of EducationUniversity of Science and Technology Beijing

Flapping-wing robots mimic the flight patterns of natural flying creatures,granting them natural camouflage.They hold promising applications in the military reconnaissance,urban surveillance,and various other fields[1–3].However,the current limitations in size often restrict the suitability of existing bird-like flapping-wing robots,

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Progress on Transition Metal Ions Dissolution Suppression Strategies in Prussian Blue Analogs for Aqueous Sodium-/Potassium-Ion Batteries

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Nano-Micro Letters 2024年第7期16卷 142-168页

作者： Wenli Shu Junxian Li Guangwan Zhang Jiashen Meng Xuanpeng Wang Liqiang Mai Department of Physical Science and technology School of ScienceWuhan University of TechnologyWuhan 430070People’s Republic of China School of Materials Science and Engineering State Key Laboratory of Advanced Technology for Materials SynthesisWuhan University of TechnologyWuhan 430070People’s Republic of China Sanya Science and Education Innovation Park Wuhan University of TechnologySanya 572000People’s Republic of China Hubei Longzhong Laboratory Wuhan University of TechnologyXiangyang Demonstration ZoneXiangyang 441000People’s Republic of China

Aqueous sodium-ion batteries(ASIBs)and aqueous potassium-ion batteries(APIBs)present significant potential for large-scale energy storage due to their cost-effectiveness,safety,and environmental compatibility.Nonetheless,the intricate energy storage mechanisms in aqueous electrolytes place stringent require-ments on the host materials.Prussian blue analogs(PBAs),with their open three-dimensional framework and facile synthesis,stand out as leading candidates for aqueous energy storage.However,PBAs possess a swift capacity fade and limited cycle longevity,for their structural integrity is compromised by the pronounced dis-solution of transition metal(TM)ions in the aqueous milieu.This manuscript provides an exhaustive review of the recent advancements concerning PBAs in ASIBs and APIBs.The dissolution mechanisms of TM ions in PBAs,informed by their structural attributes and redox processes,are thoroughly examined.Moreover,this study delves into innovative design tactics to alleviate the dissolution issue of TM ions.In conclusion,the paper consolidates various strategies for suppressing the dissolution of TM ions in PBAs and posits avenues for prospective exploration of high-safety aqueous sodium-/potassium-ion batteries.

关键词： Prussian blue analogs Transition metal ions dissolution Suppression strategies Aqueous sodium-ion batteries Aqueous potassium-ion batteries

The biochemical behavior and mechanism of uranium(Ⅵ)bioreduction induced by natural Bacillus thuringiensis

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Journal of Environmental Sciences 2024年第2期136卷 372-381页

作者： Shunzhang Chen Junyuan Gong Yanxia Cheng Yuqi Guo Feize Li Tu Lan Yuanyou Yang Jijun Yang Ning Liu Jiali Liao Key Laboratory of Radiation Physics and technology of the Ministry of Education Institute of Nuclear Science and TechnologySichuan UniversityChengdu 610064China

For a broader understanding of uranium migration affected by microorganisms in natural anaerobic environment,the bioreduction of uranium(Ⅵ)(U(Ⅵ))was revealed in Bacillus thuringiensis,a dominant bacterium strain with potential of uranium-tolerant isolated from uranium contaminated soil.The reduction behavior was systematically investigated by the quantitative analysis of U(Ⅳ)in bacteria,and mechanism was inferred from the pathway of electron transmission.Under anaerobic conditions,appropriate biomass and sodium lactate as electron donor,reduction behavior of U(Ⅵ)induced by B.thuringiensis was restricted by the activity of lactate dehydrogenase,which was directly affected by the initial pH,temperature and initial U(Ⅵ)concentration of bioreduction system.Bioreduction of U(Ⅵ)was driven by the generation of nicotinamide adenine dinucleotide(NADH)from enzymatic reaction of sodium lactate with various dehydrogenase.The transmission of the electrons from bacteria to U(Ⅵ)was mainly supported by the intracellular NADH dehydrogenase-ubiquinone system,this process could maintain the biological activity of cells.

关键词： Uranium Bacillus thuringiensis Bioreduction Electron transmission

Coupling and coordinated evolution characteristics of regional economy-energy-carbon emission multiple systems:A case study of main China's Basin

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Journal of Environmental Sciences 2024年第6期140卷 204-218页

作者： Lu Chen Xin Li Jingyi Zhao Xinyu Kang Lu Liu Minxi Wang Wu Chen College of Management Science Chengdu University of TechnologyChengdu 610051China SDU Life Cycle Engineering Department of Green TechnologyUniversity of Southern Denmark5230 OdenseDenmark

Comprehensive analysis of the Economy-Energy-Carbon Emission(EECE)system is beneficial for promoting sustainable social development.This study analyzes the system development of major watersheds in China from 2010 to 2019.The research fully considers the system’s internal and external inputs and outputs and proposes an evaluation index system for regional EECE coupling and coordinated development.Then,using the difference in system weight allocation to improve the coupling and coordination model,the study explores the dynamic system’s coupling and coordination.The results show that(1)The development of the system structure is relatively stable,but the overall development status is not ideal;(2)The downstream of China’s main river basins has obvious economic advantages,while the energy system fluctuates greatly.The efficiency of the carbon emission system will decrease in areas with rapid economic development.The coupling and coordination level of the EECE system is better in the Yangtze River Basin than in the Yellow River Basin;(3)From the perspective of dynamic coordinated development,the main river basins have been divided into two states since 2012,but it is relatively stable overall.Regional dynamic coordination is often at a disadvantage in regions with rapid economic and energy development;(4)The coupling coordination degree of the two river basins has significant positive spatial autocorrelation.Most provinces’significant spatial clustering characteristics of the coupling coordination degree are High-High type.Low-Low type provinces are mainly concentrated downstream.The research process has certain reference significance for the collaborative governance of complex regional systems.

关键词： System structure Efficiency measure Coupling mechanism Dynamic coordination

Minimal Context-Switching Data Race Detection with Dataflow Tracking

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Journal of Computer Science & technology 2024年第1期39卷 211-226页

作者：郑龙李洋辛杰刘海峰郑然廖小飞金海 National Engineering Research Center for Big Data technology and System School of Computer Science and Technology Huazhong University of Science and TechnologyWuhan 430074China Services Computing technology and System Laboratory School of Computer Science and TechnologyHuazhong University of Science and TechnologyWuhan 430074China Cluster and Grid Computing Laboratory School of Computer Science and TechnologyHuazhong University of Science and TechnologyWuhan 430074China

Data race is one of the most important concurrent anomalies in multi-threaded programs.Emerging con-straint-based techniques are leveraged into race detection,which is able to find all the races that can be found by any oth-er sound race detector.However,this constraint-based approach has serious limitations on helping programmers analyze and understand data races.First,it may report a large number of false positives due to the unrecognized dataflow propa-gation of the program.Second,it recommends a wide range of thread context switches to schedule the reported race(in-cluding the false one)whenever this race is exposed during the constraint-solving process.This ad hoc recommendation imposes too many context switches,which complicates the data race analysis.To address these two limitations in the state-of-the-art constraint-based race detection,this paper proposes DFTracker,an improved constraint-based race detec-tor to recommend each data race with minimal thread context switches.Specifically,we reduce the false positives by ana-lyzing and tracking the dataflow in the program.By this means,DFTracker thus reduces the unnecessary analysis of false race schedules.We further propose a novel algorithm to recommend an effective race schedule with minimal thread con-text switches for each data race.Our experimental results on the real applications demonstrate that 1)without removing any true data race,DFTracker effectively prunes false positives by 68%in comparison with the state-of-the-art constraint-based race detector;2)DFTracker recommends as low as 2.6-8.3(4.7 on average)thread context switches per data race in the real world,which is 81.6%fewer context switches per data race than the state-of-the-art constraint based race detec-tor.Therefore,DFTracker can be used as an effective tool to understand the data race for programmers.

关键词： data race satisfiability modulo theory multi-threaded program dynamic detection

Model of self-generated magnetic field generation from relativistic laser interaction with solid targets

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Chinese Physics B 2024年第5期33卷 511-517页

作者：严睿邹德滨赵娜杨晓虎蒋祥瑞胡理想徐新荣周泓宇余同普卓红斌邵福球银燕 Northwest Institute of Nuclear technology Xi'an 710024China Department of Physics National University of Defense TechnologyChangsha 410073China School of Microelectronics and Physics Hunan University of Technology and BusinessChangsha 410205China Department of Nuclear Science and technology National University of Defense TechnologyChangsha 410073China College of Engineering Physics Shenzhen Technology UniversityShenzhen 518118China

Generation of self-generated annular magnetic fields at the rear side of a solid target driven by relativistic laser pulse is investigated by using theoretical analysis and particle-in-cell simulations.The spatial strength distribution of magnetic fields can be accurately predicted by calculating the net flow caused by the superposition of source flow and return flow of hot electrons.The theoretical model established shows good agreement with the simulation results,indicating that the magnetic-field strength scales positively to the temperature of hot electrons.This provides us a way to improve the magnetic-field generation by using a micro-structured plasma grating in front of the solid target.Compared with that for a common flat target,hot electrons can be effectively heated with the well-designed grating size,leading to a stronger magnetic field.The spatial distribution of magnetic fields can be modulated by optimizing the grating period and height as well as the incident angle of the laser pulse.

关键词： self-generated magnetic field laser solid-target interaction micro-structured plasma grating

Enhancement of heavy metals desorption from the soil by eddy deep leaching in hydrocyclone

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Journal of Environmental Sciences 2024年第1期135卷 242-251页

作者： Ning Wang Hao Lu Bo Liu Tai Xiong Jianping Li Hualin Wang Qiang Yang School of Mechanical and Power Engineering East China University of Science and TechnologyShanghai 200237China National Engineering Laboratory for High Concentration Refractory Organic Wastewater Treatment technology East China University of Science and TechnologyShanghai 200237China

An eddy deep leaching technology was developed in this paper to address the challenge of treating heavy metal contaminants in industrial mining areas.The desorption effect of As,Cd,Sb and Pb was investigated utilizing chemical leaching and physical eddy techniques.It was found that the heavy metals concentration increased with decreasing particle size.The highest proportion of Cd in the form distribution of soil was in the bound to iron and manganese oxides,while the maximum proportion of As,Sb and Pb were in the residual.The optimal solid-liquid ratio of the hydrocyclone was 1:20,and the corresponding separation efficiency and flow rate were 84.7%and 1.76 m^(3)/hr,respectively.The grade efficiency of soil particle separation increases with particle size and exceeds 99%for particles above 1,000μm.Leaching experiments have revealed that oxalic acid(OA)and a combination of oxalic acid and EDTA(OAPE)were more efficient than citric acid(CA)and a combination of citric acid and EDTA(CAPE)for the desorption of heavy metals,respectively.The comparison of OAPE and eddy leaching found that the latter improved the desorption efficiency by 9.4%,7.5%,7.2%and 7.8%for As,Cd,Sb and Pb compared to the former,respectively.The results demonstrated that the eddy leaching technique could further enhance the desorption efficiency of heavy metals.It is expected to provide technical support for soil remediation with reduced usage of leaching agents.

关键词： Heavy metals Soil remediation Oxalic acid Eddy leaching Hydrocyclone