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Rare Metals 2024年第6期43卷 2747-2757页

作者： Xi-Di Sun Jun-Yang An Yi-Qi Sun Xin Guo Jing Wu Jiang-Bo Hua Meng-Rui Su Yi Shi Li-Jia Pan collaborative innovation center of Advanced Microstructures School of Electronic Science and EngineeringNanjing UniversityNanjing 210093China

Stretchable electronics that monitor joint activity and treat diseases based on liquid metal could be used in the development of healthcare *** devices can be seamlessly integrated with human ***,most high-precision microstructures and complex patterns are difficult to fabricate due to the limitations of conventional fabrication solutions,resulting in suboptimal performance under practical ***,a liquid-metal stretchable system utilizing natural leaf veins was reported as microstructures,which was based on a biomimetic concept and utilized an all-solution process for the preparation of complex *** systems are ultra-high tensile(800%tensile strain),environmentally stable(20 days)and mechanically durable(300-cycle).The system can accurately recognize the wearer's finger bending level as well as simple gesture *** the same time,the system acts as a wearable heater,which can realize the fast heating behavior of heating up to 50℃in 3 min under the human body-safe voltage(1.5 V).The tensile stability is demonstrated by the heterogeneous integration of lasers(405 nm)with the system interconnects for a stretchable and wearable light source.

关键词： Stretchable electronics Liquid metal Stretchable conductor Vein Bionicist electronics

Dual-curvilinear beam enabled tunable manipulation of high-and low-refractive-index particles

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Photonics Research 2024年第7期12卷 1427-1436页

作者： ZHENG YUAN CHENCHEN ZHANG YUAN GAO WENXIANG YAN XIAN LONG ZHI-CHENG REN XI-LIN WANG JIANPING DING HUI-TIAN WANG National Laboratory of Solid State Microstructures and School of Physics Nanjing UniversityNanjing 210093China collaborative innovation center of Advanced Microstructures Nanjing 210093China collaborative innovation center of Solid-State Lighting and Energy-Saving Electronics Nanjing 210093China

We present an innovative approach for the simultaneous agile manipulation of high-refractive-index(HRI) and low-refractive-index(LRI) particles. Our method involves introducing a dual-curvilinear optical vortex beam(DC-OVB) generated by superimposing a pair of curved beams: HRI and LRI particles are controlled by the bright curve and the dark channel between the two curves, respectively. The proposed DC-OVB provides customizable motion paths and velocities for both LRI and HRI particles. Each curve of the DC-OVB can support a distinct orbital flow density(OFD), enabling the application of torques to HRI and LRI particles, guiding them to orbit along specified trajectories and prompting them to execute various curvilinear motions simultaneously,including curvilinear movement, revolution, and rotation.

关键词： tunable refractive beam

Magnetism and Superconductivity in the t–J Model of La_(3)Ni_(2)O_7 Under Multiband Gutzwiller Approximation

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Chinese Physics Letters 2024年第5期41卷 97-106页

作者：薛洁然王垡 International center for Quantum Materials School of PhysicsPeking UniversityBeijing 100871China collaborative innovation center of Quantum Matter Beijing 100871China

The recent discovery of possible high temperature superconductivity in single crystals of La_(3)Ni_(2)O_(7) under pressure renews the interest in research on *** density functional theory calculations reveal that both d_(z^(2)) and d_(x^(2)-y^(2)) orbitals are active,which suggests a minimal two-orbital model to capture the low-energy physics of this *** this work,we study a bilayer two-orbital t–J model within multiband Gutzwiller approximation,and discuss the magnetism as well as the superconductivity over a wide range of the hole *** to the inter-orbital super-exchange process between d_(z^(2)) and d_(x^(2)-y^(2)) orbitals,the induced ferromagnetic coupling within layers competes with the conventional antiferromagnetic coupling,and leads to complicated hole doping dependence for the magnetic properties in the *** increasing hole doping,the system transfers to A-type antiferromagnetic state from the starting G-type antiferromagnetic(G-AFM)*** also find the inter-layer superconducting pairing of d_(x^(2)-y^(2)) orbitals dominates due to the large hopping parameter ofd_(z^(2)) along the vertical inter-layer bonds and significant Hund’s coupling between d_(z^(2)) and d_(x^(2)-y^(2)) ***,the G-AFM state and superconductivity state can coexist in the low hole doping *** take account of the pressure,we also analyze the impacts of inter-layer hopping amplitude on the system properties.

关键词： properties doping orbital

CFD-DEM simulation of high density particles fluidization behaviors in 3D conical spouted beds

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Particuology 2024年第5期88卷 266-281页

作者： Lin Jiang Mofan Qiu Rongzheng Liu Bing Liu Youlin Shao Malin Liu Institute of Nuclear and New Energy Technology Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing 100084China

The spouted bed has been used in the coating process of high-density nuclear fuel *** particle fluidization behaviors in pseudo-2D and 3D spouted beds were simulated and *** effects of four independent variables(cone angle,particle density,inlet gas velocity,and particle loading)on particle fluidization behaviors in the 3D spouted bed were investigated *** cone angle effect on fluidization mechanism was studied quantitatively first time.A new fluidization quality index was proposed based on the particle entrainment principle,and an extreme value was obtained when the cone angle was 60°,considered to be the optimum value for the 3D conical spouted *** was indicated the gas–solid contact efficiency can be kept up if the gas velocity was proportional to ρ_(p)^(0.65) and N_(p)^(0.78) when the particle density or loading was *** results will be useful for geometry and operation parameters design of the 3D conical spouted bed and helpful for developing the fluidization mechanism of high-density particles.

关键词： Spouted bed High-density particle CFD-DEM Fluidization quality index Particle loading

Halogen-bond induced unusual polyhalogen anions formation in hydrogen-bonded frameworks to secure iodine sequestration

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Nano Research 2024年第7期17卷 6766-6772页

作者： Yi Xie Pengling Huang Qiang Gao Shiyu Wang Jianchen Wang Gang Ye collaborative innovation center of Advanced Nuclear Energy Technology Institute of Nuclear and New Energy TechnologyTsinghua UniversityBeijing 100084China

Safe confinement of fission iodine isotopes for long-term radioactive waste disposal remains a formidable challenge,as conventional sorbents provide inherently weak iodine-host *** report here a novel halogen bond(X-bond)directed strategy to sequester volatile iodine in hydrogen-bonded(H-bonded)frameworks with unprecedented ***-assisted Hbonded frameworks bearing open halide sites are developed,showing distinctive iodine encapsulation behaviors without compromising the *** crystallographic evidence indicates the formation of X-bonds,i.e.,I–I···Cl^(−) and I–I···Br^(−),within the confined pore *** polyhalogen anions,i.e.,[I_(2)Cl_(2)]^(2−)and[I_(2)Br_(2)]^(2−),sustained in H-bonded frameworks are identified for the first *** X-bond reinforced host-guest interaction affords robust iodine trapping without leaking out even at elevated temperatures up to 180℃.By integrating the halogen-bond chemistry with H-bonded frameworks,this study offers fresh concepts for developing effective host reservoirs to secure fission iodine isotopes from spent fuel reprocessing off-gases.

关键词： halogen-bond chemistry anion coordination chemistry hydrogen-bonded organic frameworks polyhalogen anions iodine confinement

CFD-DEM simulation of fluorination reaction in fluidized beds with local grid and time refinement method

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Particuology 2024年第1期84卷 145-157页

作者： Mofan Qiu Lin Jiang Rongzhen Liu Yaping Tang Malin Liu Institute of Nuclear and New Energy Technology Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing100084China

The gas-solid reaction process with wide particle size distribution is extensively used in the chemical engineering field,especially the particle reacts with the gas gradually,such as fluorination reactions in fluidized *** the computational fluid dynamics-discrete element method(CFD-DEM)is used for the coupling simulation of multiphase and polydisperse particle reaction system,the grid size directly affects the accuracy of flow field information and simulation of chemical ***,particle calculation time step will directly affect the efficiency of coupling *** this work,a local grid and time step refinement method is proposed to simulate multiphase and polydisperse particle fluid-ization reaction *** this method,the refined DEM grids are automatically generated in the computational domain around the fine particles,and the detailed fluid phase information is obtained with the interpolation *** the two-phase coupling process,particles are divided into different groups based on physical properties,each group has its own independent time *** multistage conical-cylindrical spouted bed is proposed for the fluorination reaction process;the operating gas ve-locity range of the polydisperse particle system is extended by the new design while the particle size distribution changes with the gas-solid reaction *** is demonstrated that the local grid and time step refinement method can improve the accuracy and efficiency of the traditional CFD-DEM method in the reaction process simulation,which describes a polydisperse particle system with wide particle size *** at improving the simulation accuracy and efficiency,this paper will be helpful for simulating the particle reaction process in the gas-solid fluidized bed and beneficial for the development of the CFD-DEM method.

关键词： CFD-DEM Polydisperse particle Two-phase flow Fluidized bed

Supercoiled DNA Minicircles under Double-strand Breaks

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Chinese Journal of Polymer Science 2024年第9期42卷 1353-1359,I0007页

作者： Ye-Peng Qiao Chun-Lai Ren National Laboratory of Solid State Microstructures and Department of Physics Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing210093China

Understanding how supercoiled DNA releases intramolecular stress is essential for its functional ***,the molecular mechanism underlying the relaxation process remains insufficiently *** we employed MD simulations based on the oxDNA2 model to investigate the relaxation process of a 336-base pair supercoiled minicircular DNA under double-strand breaks with two fixed *** simulations show that the conformational changes in the DNA occur continuously,with intramolecular stress release happening abruptly only when the DNA chain traverses the breakage *** relaxation process is influenced not only by the separation distance between the fixed ends but also their ***,we observe an inhibitory effect on the relaxation characterized by small angles,where short terminal loops impede DNA conformational adjustments,preserving the supercoiled *** findings elucidate the intricate interplay between DNA conformational change,DNA motion and intramolecular stress release,shedding light on the mechanisms governing the relaxation of supercoiled DNA at the molecular level.

关键词： Supercoiled DNA DNA minicircle DNA relaxation oxDNA model MD simulation

Metal-organic frameworks and their composites for advanced lithium-ion batteries:Synthesis,progress and prospects

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Journal of Energy Chemistry 2024年第2期89卷 449-470,I0011页

作者： Chengcai Liu Borong Wu Tao Liu Yuanxing Zhang Jingwen Cui Lingjun Huang Guoqiang Tan Ling Zhang Yuefeng Su Feng Wu School of Material Science and Engineering Beijing Institute of TechnologyBeijing 100081China Chonging innovation center Beijing Institute of TechnologyChongqing 401120China collaborative innovation center of Electric Vehicles in Beijing Beijing 100081China

Metal-organic frameworks(MOFs)are among the most promising materials for lithium-ion batteries(LIBs)owing to their high surface area,periodic porosity,adjustable pore size,and controllable chemical *** instance,their unique porous structures promote electrolyte penetration,ions transport,and make them ideal for battery *** the chemical composition of MOF can introduce more active sites for electrochemical ***,MOFs and their related composites have been extensively and thoroughly explored for ***,the reported reviews solely include the applications of MOFs in the electrode materials of LIBs and rarely involve other aspects.A systematic review of the application of MOFs in LIBs is essential for understanding the mechanism of MOFs and better designing related MOFs battery *** review systematically evaluates the latest developments in pristine MOFs and MOF composites for LIB applications,including MOFs as the main materials(anode,cathode,separators,and electrolytes)to auxiliary materials(coating layers and additives for electrodes).Furthermore,the synthesis,modification methods,challenges,and prospects for the application of MOFs in LIBs are discussed.

关键词： Metal-organic frameworks Electrodes Electrolytes Separators Lithium-ion batteries

Mott Gap Filling by Doping Electrons through Depositing One Sub-Monolayer Thin Film of Rb on Ca_(2)CuO_(2)Cl_(2)

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Chinese Physics Letters 2024年第5期41卷 90-96页

作者：李寒王朝晖范圣泰李华州杨欢闻海虎 National Laboratory of Solid State Microstructures and Department of Physics Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093China

Understanding the doping evolution from a Mott insulator to a superconductor probably holds the key to resolve the mystery of unconventional superconductivity in copper oxides. To elucidate the evolution of the electronic state starting from the Mott insulator, we dose the surface of the parent phase Ca_(2)CuO_(2)Cl_(2) by depositing Rb atoms, which are supposed to donate electrons to the CuO_(2) planes underneath. We successfully achieved the Rb sub-monolayer thin films in forming the square lattice. The scanning tunneling microscopy or spectroscopy measurements on the surface show that the Fermi energy is pinned within the Mott gap but close to the edge of the charge transfer band. In addition, an in-gap state appears at the bottom of the upper Hubbard band(UHB), and the Mott gap will be significantly diminished. Combined with the Cl defect and the Rb adatom/cluster results, the electron doping is likely to increase the spectra weight of the UHB for the double occupancy. Our results provide information to understand the electron doping to the parent compound of cuprates.

关键词： doping holds Electron

Lithiophilic Li-Si alloy-solid electrolyte interface enabled by high-concentration dual salt-reinforced quasi-solid-state electrolyte

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Journal of Energy Chemistry 2024年第8期95卷 216-230,I0005页

作者： Yuanxing Zhang Ling Zhang Zhiguang Zhao Yuxiang Zhang Jingwen Cui Chengcai Liu Daobin Mu Yuefeng Su Borong Wu Feng Wu School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China Chongqing innovation center Beijing Institute of TechnologyChongqing 401120China collaborative innovation center of Electric Vehicles in Beijing Beijing 100081China

Solid polymer electrolytes(SPEs)are urgently required to achieve practical solid-state lithium metal batteries(LMBs)and lithium-ion batteries(LIBs),Herein,we proposed a mechanism for modulating interfacial conduction and anode interfaces in high-concentration SPEs by *** electrolyte exhibits superior ionic conductivity and remarkable interface compatibility with salt-rich clusters:(1)polymer-plastic crystal electrolyte(P-PCE,TPU-SN matrix)dissociates ion pairs to facilitate Li+transport in the electrolyte and regulates Li^(+)diffusion in the *** crosslinking structure of the matrix compensates for the loss of mechanical strength at high-salt concentrations;(2)dual-anion TFSI^(-)_(n)-DFBOP^(-)_(m)in the Li^(+)solvation sheath facilitates facile Li^(+)desolvation and formation of salt-rich clusters and is conducive to the formation of Li conductive segments of TPU-SN matrix;(3)theoretical calculations indicate that the decomposition products of LiDFBOP form SEI with lower binding energy with LiF in the SN system,thereby enhancing the interfacial electrochemical redox kinetics of SPE and creating a solid interface SEI layer rich in *** a result,the optimized electrolyte exhibits an excellent ionic conductivity of9.31×10^(-4)S cm^(-1)at 30℃and a broadened electrochemical stability up to 4.73 *** designed electrolyte effectively prevents the formation of Li dendrites in Li symmetric cells for over 6500 h at0.1 mA cm^(-2).The specific Li-Si alloy-solid state half-cell capacity shows 711.6 mAh g^(-1)after 60 cycles at 0.3 A g^(-1).Excellent rate performance and cycling stability are achieved for these solid-state batteries with Li-Si alloy anodes and NCM 811 *** 811‖Prelithiated silicon-based anode solid-state cell delivers a discharge capacity of 195.55 mAh g^(-1)and a capacity retention of 97.8%after 120 *** 811‖Li solid-state cell also delivers capacity retention of 84.2%after 450 cycles.

关键词： Prelithiation Li-Si alloy anode Solid-state electrolyte SEI layer