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Metal-organic frameworks with dinuclear metal centers for synergistically boosting CO2 photoreduction

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Science China Chemistry 2025年第01期 201-208页

作者： Hui-Feng Wang Wen-Jie Shi Yu-Xin Yang Bao-Xia Dong Tong-Bu Lu Di-Chang Zhong School of Chemistry and Chemical Engineering Yangzhou University institute for new energy Materials and Low Carbon Technologies School of Materials Science and Engineering Tianjin University of Technology

Dinuclear metal synergistic catalysis （DMSC） has been proved powerful in boosting CO2reduction,while this has not been achieved in heterogeneous catalysts with long-range order *** this study,we,by introduction of metal catalytic centers into an indium-based metal-organic framework （MOF）,obtained a series of isostructural In-MOFs,including three MOFs with mononuclear metal catalytic center （M-In）,three MOFs with dinuclear homometallic catalytic centers （MM-In）,and three MOFs with dinuclear heterometallic catalytic centers (MM’-In,M/M’=Co（II）,Ni（II）,Zn（II）).It was found that all these MOFs can serve as catalysts for photochemical CO2reduction to *** with M-In,the catalytic activities of MM-In were obviously enhanced,and that of MM’-In was further significantly *** example,the CO yield of Co Zn-In reaches a record value of 12,700μmol g-1h-1,which is 4.0,8.1,9.4,and 18.6-fold higher than that of Co Co-In,Zn Zn-In,Co-In,and Zn-In,***,the catalytic activities of Co Ni-In and Ni Zn-In also show different fold increase than those of corresponding dinuclear homometallic and mononuclear metallic *** results of control experiments and theoretical calculation reveal that the higher catalytic activities of MM-In over M-In can be ascribed to the DMSC effect,and the higher catalytic activity of MM’-In over MM-In can be ascribed to the strengthened DMSC *** work reveals the relationship between DMSC effect and bimetal centers in CO2reduction,which provides new insights into the DMSC and paves a new way to design highly active catalysts for photochemical CO2reduction.

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Three-dimensional fracture of UO2 ceramic pellets by phase field modeling

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 169-180页

作者： Wei Xiong Xuan Ye Hongzhang Cheng Xiaoming Liu institute of Nuclear and new energy Technology Collaborative Innovation Center of Advanced Nuclear Energy Technology Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education Tsinghua University State Key Laboratory of Nonlinear Mechanics Institute of Mechanics Chinese Academy of Sciences School of Engineering Science University of Chinese Academy of Sciences

Fracture is the primary failure type for the UO2ceramic pellets,which are operated under irradiation and thermal processes,and physically confined by the *** this work,by combining closely coupled physical processes of heat conduction,heat transfer,and mechanical deformation with the cohesive phase field framework,we proposed a high-precision modeling of quasistatic cracking of three-dimensional （3D） UO2ceramic fuel pellets under high temperature and *** simulation results agree well with the experimental results,indicating that the proposed method has the potential to capture 3D crack modes in the interested time ***,we studied the relation of the 3D fracture patterns of fuel pellets with the peak power *** was found that the power level plays a critical role in determining the competition between radial and circumferential cracks,as well as transverse penetrating cracks.

关键词： phase field method nuclear fuel pellet coupled thermo-mechanical model thermal fracture

An SPH Framework for Earthquake-Induced Liquefaction Hazard Assessment of Geotechnical Structures

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Computer Modeling in Engineering & Sciences 2025年第1期142卷 251-277页

作者： Sourabh Mhaski G.V.Ramana Department of Civil Engineering Indian Institute of Technology DelhiNew Delhi110016India

Earthquake-induced soil liquefaction poses significant risks to the stability of geotechnical structures *** understanding of the liquefaction triggering,and the post-failure large deformation behaviour is essential for designing resilient *** present study develops a Smoothed Particle Hydrodynamics(SPH)framework for earthquake-induced liquefaction hazard assessment of geotechnical *** coupled flowdeformation behaviour of soils subjected to cyclic loading is described using the PM4Sand model implemented in a three-phase,single-layer SPH framework.A staggered discretisation scheme based on the stress particle SPH approach is adopted to minimise numerical inaccuracies caused by zero-energy modes and tensile ***,non-reflecting boundary conditions for seismic analysis of semi-infinite soil domains using the SPH method are *** numerical framework is employed for the analysis of cyclic direct simple shear test,seismic analysis of a level ground site,and liquefaction-induced failure of the Lower San Fernando *** agreement for liquefaction triggering and post-failure behaviour demonstrates that the SPH framework can be utilised to assess the effect of seismic loading on field-scale geotechnical *** present study also serves as the basis for future advancements of the SPH method for applications related to earthquake geotechnical engineering.

关键词： Earthquake seismic liquefaction stress particle PM4Sand smoothed particle hydrodynamics(SPH)

Morphology engineering of ZnO micro/nanostructures under mild conditions for optoelectronic application

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 498-503页

作者： Liang Chu Haoyu Shen Hudie Wei Hongyu Chen Guoqiang Ma Wensheng Yan institute of Carbon Neutrality and new energy&School of Electronics and Information Hangzhou Dianzi UniversityHangzhou 310018China School of Applied Physics and Materials Wuyi UniversityJiangmen 529020China

Zinc oxide(ZnO)serves as a crucial functional semiconductor with a wide direct bandgap of approximately 3.37 *** reaction is commonly used in the synthesis of ZnO micro/nanostructures,given its low cost,simplicity,and easy ***,ZnO morphology engineering has become desirable through the alteration of minor conditions in the reaction process,particularly at room *** this work,ZnO micro/nanostructures were synthesized in a solution by varying the amounts of the ammonia added at low temperatures(including room temperature).The formation of Zn^(2+)complexes by ammonia in the precursor regulated the reaction rate of the morphology engineering of ZnO,which resulted in various structures,such as nanoparticles,nanosheets,microflowers,and single ***,the obtained ZnO was used in the optoelectronic application of ultraviolet detectors.

关键词： morphology engineering low temperature ZnO nanosheets microflowers ultraviolet detector

Targets capture by distributed active swarms via bio-inspired reinforcement learning

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Science China(Physics,Mechanics & Astronomy) 2025年第1期Mechanics & Astronomy) .卷 210-221页

作者： Kun Xu Yue Li Jun Sun Shuyuan Du Xinpeng Di Yuguang Yang Bo Li institute of Biomechanics and Medical Engineering Applied Mechanics Laboratory Department of Engineering MechanicsTsinghua University institute of Nuclear and new energy Technology Tsinghua University Shanghai Aerospace Control Technology institute Shanghai Key Laboratory of Aerospace Intelligent Control Technology College of Automation Engineering Nanjing University of Aeronautics and Astronautics

Natural swarms arranged from cells to herds are usually decentralized but display intriguing collective intelligence in coordinating individuals across large scales to efficiently achieve their common goals. Learning from nature may provide new strategies for controlling collective dynamics of synthetic swarms to accomplish specific functions. Here, we present a bioinspired computational framework that steers distributed active swarms to collectively capture and merge targets via reinforcement learning. We exploit collective milling structures of natural herds to cage the targets, and adopt a switching control policy inspired by sperms' chiral dynamics to optimize the trajectories of individuals, through which the active swarms can selforganize to enclose single or multiple distant targets in a dynamical, adaptive and scalable manner. There exists a critical swarm size, beyond which the excessive competition between agents would generate large mechanical forces, leading to capture instability but enabling the transition from short-distance to long-distance merging capture of multiple targets. This work provides physical insights into distributed active swarms and could offer a multilevel, decentralized strategy toward controlling swarm robotics in wide applications such as bio-medical devices, machine immunity, and target clearance.

关键词： swarm intelligence robotics multi-tasks artificial intelligence bionics

Efficient and Stable Perovskite Solar Cells and Modules Enabled by Tailoring Additive Distribution According to the Film Growth Dynamics

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Nano-Micro Letters 2025年第2期17卷 387-400页

作者： Mengen Ma Cuiling Zhang Yujiao Ma Weile Li Yao Wang Shaohang Wu Chong Liu Yaohua Mai institute of new energy Technology College of Physics&Optoelectronic EngineeringJinan UniversityGuangzhou 510632People’s Republic of China Key Laboratory of new Semiconductors and Devices of Guangdong Higher Education institutes Jinan UniversityGuangzhou 510632People’s Republic of China Guangdong Mellow energy Co. LimitedYuanming RoadZhuhai 519075GuangdongPeople’s Republic of China

Gas quenching and vacuum quenching process are widely applied to accelerate solvent volatilization to induce nucleation of perovskites in blade-coating *** this work,we found these two pre-crystallization processes lead to different order of crystallization dynamics within the perovskite thin film,resulting in the differences of additive *** then tailor-designed an additive molecule named 1,3-bis(4-methoxyphenyl)thiourea to obtain films with fewer defects and holes at the buried interface,and prepared perovskite solar cells with a certified efficiency of 23.75%.Furthermore,this work also demonstrates an efficiency of 20.18%for the large-area perovskite solar module(PSM)with an aperture area of 60.84 cm^(2).The PSM possesses remarkable continuous operation stability for maximum power point tracking of T_(90)>1000 h in ambient air.

关键词： Gas quenching Additive distribution Buried passivation Blade coating Crystallization dynamics

A long-life and safe lithiated graphite-selenium cell with competitive gravimetric and volumetric energy densities

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Journal of energy Chemistry 2021年第9期30卷 556-563页

作者： Xiaoqun Qi Qiang Jin Fengyi Yang Ruining Jiang Quan Sun Long Qie Yunhui Huang institute of new energy for vehicles School of Materials Science and EngineeringTongji UniversityShanghai 201804China

Lithium-selenium(Li-Se) battery is a promising system with high theoretical gravimetric and volumetric energy densities, while its long-term cyclability is hard to realize, especially when a practical Se cathode with high Se content, high Se loading, and high density is employed. The main obstacles are the sluggish conversion kinetics of the dense Se cathodes and the continuous deterioration of the Li-metal ***, by introducing an acetonitrile(AN)-based electrolyte and replacing the Li electrode with a lithiated graphite, we successfully build a hybrid conversion-intercalation system using a high-content(80 wt%),decent-loading(3.0 mg cm^(-2)), and low-porosity(44%) Se cathode. The as-designed lithiated graphite||Se(LG||Se) cell demonstrated a high Se utilization(97.4%), a long cycle life(3000 cycles), and an ultrahigh average Coulombic efficiency(99.98%). The cell also works well under lean-electrolyte(2 l L mg^(-1)) condition and shows outstanding safety performance in the nail-penetrating test. The combination affords the competitive comprehensive performances, including high volumetric and gravimetric energy densities, long cycling life, and superb safety of the LG||Se cell. In addition, with a newly-designed threeelectrode pouch cell, the lithiation of the graphite anodes could be done with an in-situ lithiation process,indicating the high potential of the as-proposed LG||Se cell for the practical applications.

关键词： Conversion-intercalation Acetonitrile electrolyte Se cathode Lithiated graphite energy density

A writable lithium metal ink

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Science China Chemistry 2020年第10期63卷 1483-1489页

作者： Wangyan Wu Jian Duan Jiayun Wen Yuwei Chen Xuyang Liu Liqiang Huang Zhengfeng Wang Shengyuan Deng Yunhui Huang Wei Luo institute of new energy for vehicles School of Materials Science and EngineeringTongji UniversityShanghai 201804China

The recent revival of Li metal anodes(LMA)leads to a renewed interest in LMA as the ultimate choice for rechargeable lithium batteries towards high energy ***,multiple challenges stand in the way of using LMA,of which high reactivity,dendrite growth,the difficulty of fabricating Li thin foils,and the flammability of organic liquid electrolytes are ***,a writable Li metal ink(LMI)prepared by introducing biomass-derived carbon particles into molten Li is *** to the significantly decreased surface tension,LMI is able to directly write on copper foils or other substrates that ultrathin Li foils with a remarkably small thickness(energy density.

关键词： lithium metal ink surface tension solid-state batteries interface controllable thickness

A Stretchable Ionic Conductive Elastomer for High-Areal-Capacity Lithium-Metal Batteries

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energy & Environmental Materials 2022年第1期5卷 337-343页

作者： Kejia Li Zhenglu Zhu Ruirui Zhao Haoran Du Xiaoqun Qi Xiaobin Xu Long Qie institute of new energy for vehicles School of Materials Science and EngineeringTongji UniversityShanghai 201804China

Developing high-areal-capacity and dendrite-free lithium(Li)anodes is of significant importance for the practical applications of the Li-metal secondary ***,an effective strategy to stabilize the high-arealcapacity Li electrodeposition by modifying the Li metal with a stretchable ionic conductive elastomer(ICE)is *** ICE layer prepared via an instant photocuring process shows a promising Li^(+)-ion conductivity at room *** being used in Li-metal batteries,the thin ICE coating(~0.27μm)acts as both a stretchable constraint to minimize the Li loss and a protective layer to facilitate the uniform flux of Li *** this ICE-modifying strategy,the reversibility and cyclability of the Li anodes under high-areal-capacity condition in carbonate electrolyte are significantly improved,leading to a stable Li stripping/plating for 500 h at an ultrahigh areal capacity of 20 mAh cm^(-2)in commercial carbonate *** coupled with industry-level thick LiFePO;electrodes(20.0 mg cm^(-2)),the cells with ICE-Li anodes show significantly enhanced rate and cycling capability.

关键词： high areal capacity ionic conductive elastomer lithium anode lithium-metal battery protective layer