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How interfacial electron-donating defects influence the structure and charge of gold nanoparticles on TiO_(2)support

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Nano Research 2024年第7期17卷 5965-5974页

作者： Guang-Jie xia Yu Fu Wei Cao jun Li Yang-Gang Wang Department of Chemistry and Guangdong Provincial Key Laboratory of Catalysis Southern University of Science and TechnologyShenzhen 518055China School of Physical Sciences Great Bay UniversityDongguan 523000China Department of Chemistry Tsinghua UniversityBeijing 100084China

The reduction degree of TiO_(2)support is critical to the performances of metal *** many previous theoretical calculations,only the bridge oxygen vacancy(Ov)was considered as the electron-donating defect on reduced rutile TiO_(2)(r-TiO_(2−x))***,titanium adatoms(Tiad.),oxidized titanium islands(***),and acid hydroxyls(ObrH)also exist at the metal/support *** conducting density functional theory(DFT)calculations and ab initio molecular dynamics(AIMD)simulations,we compared r-TiO_(2−x)surfaces with Ov,Tiad.,***,and ObrH sites loaded with Au nanoparticles(NPs).The results showed the Au NPs were oxygen-phobic but titanium-philic,resulting in wetting of Ov and *** short contact with *** and *** Bader charges of Au NPs(QM)showed a good linear relationship with the ideal number of donating electrons(Ne)from the defective sites(QM=−KeNe+QM,S),demonstrating the intrinsic electron allocation at the *** Ov,Tiad.,and *** exhibited similar slopes(Ke),relatively steeper than that of *** means in the scope of Au NP charge state,the *** *** have a close electron-donating ability with Ov,but the ObrH donates relatively fewer *** linear relationship can be extended approximately to other *** higher the metal work function,the steeper the Ke for easier electron donation from defective *** stronger the metal oxygen affinity,the more positive the intercept(QM,S).That explains the easy generation of metallic or negative Pt and Au NPs on r-TiO_(2−x),but hard for Cu and Zn in *** provides theoretical guidance for regulating the charge of metal NPs over TiO_(2−x)supports.

关键词： metal-support interaction titanium oxide oxygen vacancy surface hydroxyl titanium adatom

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In-situ measurement via the flow-through method and numerical simulations for radon exhalation during measurements of the radon exhalation rate

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Nuclear Science and Techniques 2024年第7期35卷 192-207页

作者： Ming xia Yong-jun Ye Shan-Wei Shang Ting Yu Dai-Jia Chen School of Resources Environment and Safety Engineering University of South ChinaHengyang421001China Key Discipline Laboratory for National Defense for Biotechnology in Uranium Mining and Hydrometallurgy University of South ChinaHengyang421001China

Small-scale measurements of the radon exhalation rate using the flow-through and closed-loop methods were conducted on the surface of a uranium tailing pond to better understand the differences between the two *** abnormal radon exhalation behavior was observed,leading to computational fluid dynamics(CFD)-based simulations in which dynamic radon migration in a porous medium and accumulation chamber was *** on the in-situ experimental and numerical simulation results,variations in the radon exhalation rate subject to permeability,flow rate,and insertion depth were quantified and *** in-situ radon exhalation rates measured using the flow-through method were higher than those measured using the closed-loop method,which could be explained by the negative pressure difference between the inside and outside of the chamber during the *** consistency of the variations in the radon exhalation rate between the experiments and simulations suggests the reliability of CFD-based techniques in obtaining the dynamic evolution of transient radon exhalation rates for diffusion and convection at the porous medium-air *** synergistic effects of the three factors(insertion depth,flow rate,and permeability)on the negative pressure difference and measured exhalation rate were quantified,and multivariate regression models were established,with positive correlations in most cases;the exhalation rate decreased with increasing insertion depth at a permeability of 1×10^(−11) m^(2).CFD-based simulations can provide theoretical guidance for improving the flow-through method and thus achieve accurate measurements.

关键词： Radon exhalation Flow-through Numerical simulation Accumulation chamber Multivariate regression

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Approximate Synchronization of Multi-Agent Systems over Finite Fields

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Journal of Systems Science & Complexity 2024年第4期37卷 1561-1580页

作者： YU Miao FENG jun-e xia Jianwei FU Shihua SHEN Hao School of Mathematical Sciences Liaocheng UniversityLiaocheng 252059China School of Mathematics Shandong UniversityJinan 250100China School of Electrical and Information Engineering Anhui University of TechnologyMaanshan 243002China

In this paper,the approximate synchronization of leader-follower multiagent systems(MASs) over finite fields is studied in regard to local and global ***,the approximately synchronous state set(ASSS) is ***,combined with ASSS and transient periods,some criteria for the local and global approximate synchronization of systems are ***,the algorithms for calculating the maximum approximately synchronous basin(MASB) and the maximum control invariant set(MCIS) are ***,the global approximate synchronization of the system is achieved by designing the state feedback control,and a design algorithm of the controller using the truth matrix method is ***,the results of approximate synchronization are degenerated to complete ***,two examples are shown to demonstrate the results of this paper.

关键词： Approximate synchronization finite field multiagent system semi-tensor product state feedback control

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MXene-based hybrid materials for electrochemical and photoelectrochemical H_(2) generation

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Journal of Energy Chemistry 2024年第6期93卷 111-125,I0004页

作者： jun Young Kim Seung Hun Roh Chengkai xia Uk Sim jung Kyu Kim School of Material Science and Engineering North University of ChinaTaiyuan 030051China School of Chemical Engineering Sungkyunkwan University(SKKU)2066Seobu-roJangan-guSuwon 16419Republic of Korea Hydrogen Energy Technology Laboratory Korea Institute of Energy Technology(KENTECH)NajuJeollanamdo 58330Republic of Korea SKKU Advanced Institute of Nano Technology(SAINT) Sungkyunkwan University(SKKU)2066Seobu-roJangan-guSuwon 16419Republic of Korea

The conversion of solar energy to produce clean hydrogen fuel through water splitting is an emerging strategy for efficiently storing solar energy in the form of solar *** aligns with the increasing global demand for the development of an ideal energy alternative to fossil fuels that does not emit greenhouse ***(EC) and photoelectrochemical(PEC) water splitting technologies have garnered significant attention worldwide for advanced hydrogen solar fuel production in recent *** achieve sustainable green H_(2) production,it is essential to create efficient catalyst materials that are low-cost and can replace expensive noble metal-based *** characteristics make them an ideal catalyst material for the ***-dimensional MXenes with M_(n+1)X_(n) structure have been identified as a promising option for EC and PEC water splitting due to their superior hydrophilicity,metal-like conductivity,large surface area,and adjustable surface ***,we present a summary of recent advancements in the synthesis and performance enhancement methods for MXene hybrid materials in hydrogen production through EC and PEC water ***,we examine the challenges and insights associated with the rational design of MXene-based hybrid materials to facilitate efficient water splitting for sustainable solar fuel production.

关键词： MXene Hybrid materials EC PEC HER OER Water splitting

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Construct a 3D microsphere of HMX/B/Al/PTFE to obtain the high energy and combustion reactivity

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Defence Technology（防务技术） 2024年第2期32卷 45-54页

作者： Jian Wang Jie Chen Yaofeng Mao Yongjun deng Wei Cao Fude Nie jun Wang Institute of Chemical Materials China Academy of Engineering PhysicsMianyang 621999PR China Shock and Vibration of Engineering Materials and Structures Key Lab of Sichuan Province Mianyang 621010PR China

Metal(aluminum and boron)based energetic materials have been wildly applied in various fields including aerospace,explosives and micro-devices due to their high energy ***,the low combustion efficiency and reactivity of metal fuels,especially boron(B),severely limit their practical ***,multi-component 3D microspheres of HMX/B/Al/PTFE(HBA)have been designed and successfully prepared by emulsion and solvent evaporation method to achieve superior energy and combustion *** reactivity and energy output of HBA are systematically measured by ignitionburning test,constant-volume explosion vessel system and bomb *** to the increased interfacial contact and reaction area,HBA shows higher flame propagation rate,faster pressurization rate and larger combustion heat of 29.95 cm/s,1077 kPa/s,and 6164.43 J/g,which is 1.5 times,3.5 times,and 1.03 times of the physical mixed counterpart(HBA-P).Meanwhile,HBA also shows enhanced energy output and reactivity than 3D microspheres of HMX/B/PTFE(HB)resulting from the high reactivity of *** reaction mechanism of 3D microspheres is comprehensively investigated through combustion emission spectral and thermal analysis(TG-DSC-MS).The superior reactivity and energy of HBA originate from the surface etching of fluorine to the inert shell(Al_(2)O_(3) and B_(2)O_(3))and the initiation effect of Al to *** work offers a promising approach to design and prepare high-performance energetic materials for the practical applications.

关键词： HMX/B/Al/PTFE 3D microspheres Surface etching Reaction mechanism

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Aerodynamic/stealth design of S-duct inlet based on discrete adjoint method

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Applied Mathematics and Mechanics(English Edition) 2024年第4期45卷 725-746页

作者： jun deng Ke ZHAO Lin ZHOU Wei ZHANG Bowen SHU Jiangtao HUANG Zhenghong GAO School of Aeronautics Northwestern Polytechnical UniversityXi’an 710072China Aerospace Technology Institute of China Aerodynamic Research and Development CenterMianyang 621000Sichuan ProvinceChina

It is a major challenge for the airframe-inlet design of modern combat aircrafts,as the flow and electromagnetic wave propagation in the inlet of stealth aircraft are very *** this study,an aerodynamic/stealth optimization design method for an S-duct inlet is *** upwind scheme is introduced to the aerodynamic adjoint equation to resolve the shock wave and flow *** multilevel fast multipole algorithm(MLFMA)is utilized for the stealth adjoint equation.A dorsal S-duct inlet of flying wing layout is optimized to improve the aerodynamic and stealth *** the aerodynamic and stealth characteristics of the inlet are effectively ***,the optimization results are analyzed,and it shows that the main contradiction between aerodynamic characteristics and stealth characteristics is the centerline and crosssectional *** S-duct is smoothed,and the cross-sectional area is increased to improve the aerodynamic characteristics,while it is completely opposite for the stealth *** radar cross section(RCS)is reduced by phase cancelation for low frequency *** method is suitable for the aerodynamic/stealth design of the aircraft airframe-inlet system.

关键词： S-duct inlet aerodynamic/stealth optimization design discrete adjoint upwind scheme multilevel fast multipole algorithm(MLFMA)

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Luminescence properties and optical sensing behaviors of Sr_(2)GdSbO_(6):Eu^(3+) phosphors

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Journal of Rare Earths 2024年第8期42卷 1458-1469,I0002页

作者： Youfa Tai Ruirui Cui jun Zhang Chunkai Wang Tingyu Zhao Beiqiao Zhang Chaoyong deng Key Laboratory of Functional Composite Materials of Guizhou Province College of Big Data and Information EngineeringGuizhou UniversityGuiyang550025China College of Computer and Information Engineering Guizhou University of CommerceGuiyang550014China School of Electronics and Information Engineering Guiyang UniversityGuiyang550005China

Novel orange-red Sr_(2)GdSbO_(6):xEu^(3+)(x=0,0.05,0.1,0.2,0.3,0.4,0.5 and 0.6) phospho rs were successfully prepared by the traditional high-temperature solid-state *** results of Rietveld refinement,energy dispersive spectroscopy(EDS) spectrum and elemental mapping demonstrate that Eu^(3+) successfully replaces the Gd^(3+) sites and distributes uniformly in the particles of *** luminescence properties of Sr_(2)GdSbO_(6):Eu_(3+)phosphors were investigated in *** emission spectra of the strongest emission peak is the ^(5)D_(0)→^(7)F_(1)(593 nm) transition,which can emit orange-red light under393 nm *** the doping concentration of Eu3+ions is x=0.2,the luminescence intensity of the phosphors reaches the *** detailed mechanism of concentration quenching is attributed to dipole-dipole *** thermal stability values of Sr_(2)GdSbO_(6):0.2Eu^(3+) phosphors are 87%,82% and114% under 393,467 and 527 nm excitations,*** causes of the abnormal thermal quenching under 527 nm excitation were *** on the abnormal thermal quenching under527 nm excitation,the optical thermometry properties of Sr_(2)GdSbO_(6):0.2Eu^(3+)phosphors were investigated by fluorescence intensity ratio(FIR) technique,and appreciable relative sensitivity was *** results suggest that Sr_(2)GdSbO_(6):0.2Eu^(3+)phosphors can be potentially applied to w-LEDs and optical thermometers.

关键词： Sr_(2)GdSbO_(6):Eu^(3+) Phosphors Luminescence properties Abnormal thermal quenching Rare earths

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Theoretical study on the effect of H_(2)O on the formation mechanism of NO_(x) precursors during indole pyrolysis

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Frontiers of Chemical Science and Engineering 2024年第6期18卷 99-112页

作者： Ziqi Wang jun Shen Xuesong Liu Sha Wang Shengxiang deng Hai Zhang Yun Guo School of Mechanical and Automotive Engineering Shanghai University of Engineering ScienceShanghai 201620China School of Mechanical Engineering Shanghai Jiao Tong UniversityShanghai 200240China

The incineration technology of kitchen waste is one of the effective technologies to achieve the resource utilization of municipal solid *** is an important stage of *** is a rich initial product in the pyrolysis process of kitchen waste,and the presence of H_(2)O has a significant impact on the decomposition of indole to form NO_(x) ***,this study uses density functional theory method to study the effect of H_(2)O on the thermal decomposition of indole to produce NH_(3),HNCO,and *** H_(2)O participates in the reaction,it can provide oxidative groups to generate a new product HNCO,which is different from the previous findings by indole pyrolysis without the presence of H_(2)***,this study theoretically proves that NH_(3) is easier to form than *** is consistent with the phenomenon that NH_(3) release is higher than HCN release in pyrolysis *** addition,compared with the individual pyrolysis of indole,the participation of H_(2)O reduces the energy barriers for the formation of NH_(3) and HCN during indole pyrolysis,thereby promoting the formation of NH_(3) and HCN.

关键词： indole pyrolysis H_(2)O NO_(x)precursors DFT

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Review on current development of polybenzimidazole membrane for lithium battery

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Journal of Energy Chemistry 2024年第4期91卷 579-608页

作者： Yonggui deng Arshad Hussain Waseem Raza Xingke Cai Dongqing Liu jun Shen College of Mechatronics and Control Engineering Shenzhen UniversityShenzhen 518060GuangdongChina Interdisciplinary Research Center for Hydrogen Technologies and Carbon Management(IRC-HTCM) King Fahd University of Petroleum&MineralsKFUPM Box 504031261 DhahranSaudi Arabia Institute for Advanced Study Shenzhen UniversityShenzhen 518060GuangdongChina

With the rapid development of portable technology,lithium batteries have emerged as potential candidates for high-performance energy storage systems owing to their high energy density and cycling *** the key components of a lithium battery system,the separator plays a critical role as it directly influences the battery performance benchmark(cycling performance and safety).However,traditional polyolefin separators(polypropylene/polyethylene)are unable to meet the demands of highperformance and safer battery systems due to their poor electrolyte compatibility,thermal runaways,and ultimate growth of *** contrast,membranes fabricated using polybenzimidazole(PBI)exhibit excellent electrolyte wettability and outstanding thermal dimensional stability,thus holding great potential as separators for high-performance and high-safety *** this paper,we present a comprehensive review of the general requirements for separators,synthesis technology for separators,and research trends focusing PBI membranes in lithium batteries to alleviate the current commercial challenges faced by conventional polyolefin *** addition,we discuss the future development direction for PBI battery separators by considering various factors such as production cost,ecological footprint,preparation technology,and battery component *** exploring these perspectives,we aim to promote the continued application and exploration of PBI-based materials to advance lithium battery technology.

关键词： Lithium batteries Separators Porous separators Polybenzimidazole Membrane

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Superhydrophobic Surface-Assisted Preparation of Microspheres and Supraparticles and Their Applications

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Nano-Micro Letters 2024年第4期16卷 110-138页

作者： Mengyao Pan Huijuan Shao Yue Fan Jinlong Yang Jiaxin Liu Zhongqian deng Zhenda Liu Zhidi Chen jun Zhang Kangfeng Yi Yucai Su Dehui Wang Xu deng Fei deng Institute of Fundamental and Frontier Sciences University of Electronic Science and Technology of ChinaChengdu 611731People’s Republic of China School of Materials Science and Engineering Sun Yat-Sen UniversityGuangzhou 510275People’s Republic of China Shenzhen Institute for Advanced Study University of Electronic Science and Technology of ChinaShenzhen 518110People’s Republic of China Pharmaceutical Glass Co.Ltd Zibo 256100People’s Republic of China Department of Nephropathy School of MedicineSichuan Provincial People’s HospitalUniversity of Electronic Science and Technology of ChinaChengduPeople’s Republic of China Department of Nephrology Sichuan Provincial People’s Hospital Jinniu HospitalChengdu Jinniu District People’s HospitalChengduPeople’s Republic of China

Superhydrophobic surface(SHS) has been well developed, as SHS renders the property of minimizing the water/solid contact interface. Water droplets deposited onto SHS with contact angles exceeding 150°, allow them to retain spherical shapes, and the low adhesion of SHS facilitates easy droplet collection when tilting the substrate. These characteristics make SHS suitable for a wide range of applications. One particularly promising application is the fabrication of microsphere and supraparticle materials. SHS offers a distinct advantage as a universal platform capable of providing customized services for a variety of microspheres and supraparticles. In this review, an overview of the strategies for fabricating microspheres and supraparticles with the aid of SHS, including cross-linking process, polymer melting,and droplet template evaporation methods, is first presented. Then, the applications of microspheres and supraparticles formed onto SHS are discussed in detail, for example, fabricating photonic devices with controllable structures and tunable structural colors, acting as catalysts with emerging or synergetic properties, being integrated into the biomedical field to construct the devices with different medicinal purposes, being utilized for inducing protein crystallization and detecting trace amounts of analytes. Finally,the perspective on future developments involved with this research field is given, along with some obstacles and opportunities.

关键词： Superhydrophobic surface Microspheres and supraparticles Photonic devices Catalysts Biomedical and trace detections

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