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Achieving structurally stable O3-type layered oxide cathodes through site-specific cation-anion co-substitution for sodium-ion batteries

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Journal of Energy Chemistry 2024年第6期93卷 411-418,I0011页

作者： Yihao Shen Chen Cheng Xiao Xia Lei Wang Xi Zhou Pan zeng Jianrong zeng Liang Zhang Institute of Functional Nano&Soft Materials(FUNSOM) Soochow UniversitySuzhou 215123JiangsuChina Institute for Advanced Study School of Mechanical EngineeringChengdu UniversityChengdu 610106SichuanChina Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteChinese Academy of SciencesShanghai 201204China Shanghai Institute of Applied Physics Chinese Academy of SciencesShanghai 201800China Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow UniversitySuzhou 215123JiangsuChina

O3-type layered oxides have garnered great attention as cathode materials for sodium-ion batteries because of their abundant reserves and high theoretical ***,challenges persist in the form of uncontrollable phase transitions and intricate Na^(+)diffusion pathways during cycling,resulting in compromised structural stability and reduced capacity over *** study introduces a special approach employing site-specific Ca/F co-substitution within the layered structure of O_(3)-NaNi_(0.5)Mn_(0.5)O_(2) to effectively address these ***,the strategically site-specific doping of Ca into Na sites and F into O sites not only expands the Na^(+)diffusion pathways but also orchestrates a mild phase transition by suppressing the Na^(+)/vacancy ordering and providing strong metal-oxygen bonding strength,*** as-synthesized Na_(0.95)Ca_(0.05)Ni_(0.5)Mn_(0.5)O_(1.95)F_(0.05)(NNMO-CaF)exhibits a mild O3→O3+O'3→P3 phase transition with minimized interlayer distance variation,leading to enhanced structural integrity and stability over extended *** a result,NNMO-CaF delivers a high specific capacity of 119.5 mA h g^(-1)at a current density of 120 mA g^(-1)with a capacity retention of 87.1%after 100 *** study presents a promising strategy to mitigate the challenges posed by multiple phase transitions and augment Na^(+)diffusion kinetics,thus paving the way for high-performance layered cathode materials in sodium-ion batteries.

关键词： Sodium-ion batteries O3-type layered oxides Site-specific co-doping Phase transition

Discovery of Partial Differential Equations from Highly Noisy and Sparse Data with Physics-Informed Information Criterion

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Research 2024年第1期2023卷 247-259页

作者： Hao Xu Junsheng zeng Dongxiao Zhang BIC-ESAT EREand SKLTCSCollege of EngineeringPeking UniversityBeijing 100871P.R.China Institute of Applied Physics and Computational Mathematics Beijing 100088P.R.China Eastern Institute for Advanced Study Eastern Institute of TechnologyNingbo 315200ZhejiangP.R.China National Center for Applied Mathematics Shenzhen(NCAMS) Southern University of Science and TechnologyShenzhen 518055GuangdongP.R.China Department of Mathematics and Theories Peng Cheng LaboratoryShenzhen 518000GuangdongP.R.China

Data-driven discovery of partial differential equations(PDEs)has recently made tremendous progress,and many canonical PDEs have been discovered successfully for proof of ***,determining the most proper PDE without prior references remains challenging in terms of practical *** this work,a physics-informed information criterion(PIC)is proposed to measure the parsimony and precision of the discovered PDE *** proposed PIC achieves satisfactory robustness to highly noisy and sparse data on 7 canonical PDEs from different physical scenes,which confirms its ability to handle difficult *** PIC is also employed to discover unrevealed macroscale governing equations from microscopic simulation data in an actual physical *** results show that the discovered macroscale PDE is precise and parsimonious and satisfies underlying symmetries,which facilitates understanding and simulation of the physical *** proposition of the PIC enables practical applications of PDE discovery in discovering unrevealed governing equations in broader physical scenes.

关键词： process canonical proof

Outlier Robust Feature Correspondence by Learning Based Matching Process

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Journal of Systems Science & Complexity 2024年第4期37卷 1351-1367页

作者： YANG Xu zeng Shaofeng LIU Zhiyong State Key Laboratory of Multimodal Artificial Intelligence Systems Institute of Automation of Chinese Academy of SciencesBeijing 100190China University of Chinese Academy of Sciences Beijing 100190China

Feature correspondence is a crucial aspect of various computer vision and robot vision *** traditional optimization-based matching techniques,researchers have recently adopted a learning-based approach for matching,but these methods face challenges in dealing with outlier *** paper presents an outlier robust feature correspondence method that employs a pruned attentional graph neural network and a matching layer to address the outlier ***,the authors introduce a modified cross-entropy matching loss to handle the outlier *** a result,the proposed method significantly enhances the performance of learning-based matching algorithms in the presence of outlier *** experiments confirm the effectiveness of the proposed approach.

关键词： Feature correspondence graph neural network optimal transport problem pointmatching

Molecules for COVID-19 treatment

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Chinese Chemical Letters 2024年第7期35卷 59-65页

作者： Zhigang zeng Changzhou Liao Lei Yu Hubei Key Laboratory of Radiation Chemistry and Functional Materials School of Nuclear Technology and Chemistry&BiologyHubei University of Science and TechnologyXianning 437100China Hubei Industry Technology Research Institute of Intelligent Health Xianning 437100China School of Chemistry and Chemical Engineering Yangzhou UniversityYangzhou 225002China

COVID-19 is a major event with worldwide *** the beginning of the epidemic,pharmaceutical chemists have paid attention to the therapeutic effect of a variety of small molecule medicines on COVID-19 infection.A series of organic molecules are designed and found to be effective in the treatment of COVID-19 *** fact,no matter how effective they are,with the development of the COVID-19 epidemic,various small molecule medicines are gradually recognized by *** is equivalent to a good science popularization of pharmaceutical *** review aims to introduce the molecules for COVID-19 treatment on the basis of their chemical structures,synthetic methods as well as their effects.

关键词： COVID-19 Small molecule medicines "Star"drugs Chemical structure Synthetic method

Study on concentration distribution and detonation characteristics for non-axisymmetric fuel dispersal

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Defence Technology（防务技术） 2024年第1期31卷 484-495页

作者： Linghui zeng Zhongqi Wang Xing Chen Jianping Li State Key Laboratory of Explosion Science and Technology Beijing Institute of TechnologyBeijing100081China College of Environment and Chemical Engineering Sichuan University of Science&EngineeringZigong643000China

The study of non-axisymmetric fuel dispersal and detonation can provide reference for the prevention of industrial cloud explosion accidents and the design of fuel air explosive(FAE).The concentration and detonation fields of 85 kg cylindrical and fan-shaped fuel are investigated by experiments and numerical simulations.A dynamic model of the whole process for fuel dispersal and detonation is *** concentration distribution of fuel is used as the initial condition to calculate the detonation stage,thus solving the initial value problem of detonation *** phase and component changes of fuel cloud at different locations are *** fuel cloud is divided into directions of 0°,90°,135°and 180°.The results show that the maximum cloud radius is 20.94 m in 135°and the minimum is 12.04 m in 0°.The diameter of the detonation fireball is 53.6 m,and the peak temperature is 3455 *** highest peak overpressure is 3.44 MPa in 0°and the lowest is 2.97 MPa in 135°.The proportion of liquid phase in 0°is22.90%,and the fuel loss is 11.8% and 9% higher than that in 135°and cylindrical charge,*** stable propagation distance of blast wave in 135°is 42.50% longer than 0°and 28.37% longer than cylindrical charge.

关键词： Fuel dispersal Concentration distribution Detonation characteristic Fuel loss Numerical simulation

Improving surface integrity of micro-holes in ECDM using ultrahigh-speed rotary of tool cathode and non-water-based electrolyte

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Chinese Journal of Aeronautics 2024年第5期37卷 506-519页

作者： Jiwen SHEN Weijing KONG Zhengyang XU Yongbin zeng Jiangsu Key Laboratory of Precision and Micro-Manufacturing Technology Nanjing University of Aeronautics and AstronauticsNanjing 210016China

The surface integrity of metal micro-hole structures produced by electrochemical discharge machining is unsatisfactory owing to the insufficient reaction area and strength of electrolysis action.A novel ultrahigh-speed Rotary Electrochemical Discharge Machining(R-ECDM)using non-water-based electrolyte is proposed to improve surface integrity by changing the breakdown medium of spark discharge and increasing the reaction area and strength of electrolysis.A mathematical model was developed to establish the relationship between rotational speed and forces acting on the *** on the magnitude of forces,controlling rotational speed changed the behavior and departure radius of bubbles on the cathode ***-speed photographs validate that,in the mathematical model,the number and departure radius of bubbles on the cathode surface gradually decrease with the increase of rotational *** experimental results show that the roughness(Ra)of the micro-hole sidewall decreases from 2.54μm to 0.20μm when the rotational speed increases from 500 r/min to 40000 r/*** length loss and wear ratio of the cathode are only 9.75μm and 6.5%,***,the micro-holes array with recast-free and surface roughness of 0.20μm is fabricated,demonstrating that the proposed approach contributes to improving surface integrity of metal micro-holes.

关键词： Electrochemical discharge machining Micro-holes Recast layer Ultrahigh-speed rotary Bubbles Force analysis Non-water-based solution

Electrochemical radical-polar crossover:a radical approach to polar chemistry

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Science China Chemistry 2024年第2期67卷 450-470页

作者： Zhoumei Tan Haonan Zhang Kun Xu Chengchu zeng Faculty of Environment and Life Beijing University of TechnologyBeijing100124China

Radical-polar crossover(RPC) reaction bridges the gap between one-and two-electron reactivities,thus providing an ideal solution to overcome the limitations of both radical and polar *** this manifold,organic electrochemistry provides a uniquely facile strategy to access a diverse array of radical intermediates,thus broadening the chemical space of the RPC *** review highlights the synthetic advances in the field of electrochemical RPC reactions since 2020,with an emphasis on the substrate scope,reaction limitation and mechanistic *** related RPC reactions are categorized as netoxidative,net-reductive,or redox neutral transformations.

关键词： electrosynthesis radical-polar crossover radical chemistry polar chemistry alkene functionalization

Stable graphene oxide-based lyotropic liquid crystals for interfacial lubrication

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Friction 2024年第5期12卷 954-967页

作者： Yumei GUO Hanglin LI Jiusheng LI Xiangqiong zeng Laboratory for Advanced Lubricating Materials Shanghai Advanced Research InstituteChinese Academy of SciencesShanghai201210China University of Chinese Academy of Sciences Beijing100049China

Lyotropic liquid crystals have lubricating properties due to their ordered assembly and fluidity,whose mesogens are often characterized by amphiphilic *** the attention that graphene oxide(GO)has been studied as a novel amphiphilic lyotropic mesogen this decade,and GO applied as a lubrication additive has been demonstrated in both oil and water-based systems,little research reveals the interfacial lubrication of GO liquid crystals *** work reports that GO aqueous dispersion can form lyotropic liquid crystals above a specific critical concentration of 5.00 mg/mL,providing a form of stable water-based lubricant,which can keep stable for several months and can reduce friction by 37.3%and wear by 25.24%.The liquid crystal phase was verified by polarizing microscope and synchrotron radiation small-angle X-ray scattering,and its rheological properties and viscoelasticity were studied by interfacial *** formation of lyotropic liquid crystals can enhance the stability of GO aqueous dispersions at high density,simultaneously ensuring friction decrease and anti-wear *** is attributed to the stable nematic network by the ordered GO *** ordered assembly structure bears vertical shear force,therefore,reducing the *** is also assumed that the wide lateral size of graphene oxide promotes the nematic phase thus smoothes the graphene oxide film composed spontaneously under the coincidence of lamellar liquid crystal and 2D layered *** this work,the interlayer lubrication of GO was optimized,and the problem of GO dispersion sedimentation was solved by *** range of interfacial lubrication of GO aqueous dispersion has been expanded and the synergistic effect is conducive to the environmentally friendly lubricants.

关键词： lyotropic liquid crystal graphene oxide aqueous lubrication tribological behavior

Preparation of calcium carbonate with microstructure and nanostructure from carbide slag for CO_(2) sequestration by using recyclable ammonium chloride

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Particuology 2024年第7期90卷 1-9页

作者： Jin Yao Qiuju Chen Li zeng Wenjin Ding Key Laboratory of Ministry of Education for Solid Waste Treatment and Resource Recycle Southwest University of Science and TechnologyMianyang621010China Sichuan Engineering Lab of Non-metallic Mineral Powder Modification and High-value Utilization Mianyang621010China School of Architecture and Civil Engineering Chengdu UniversityChengdu610106China

Based on the composition characteristics of carbide slag and the application of polyvinyl chloride,a method of preparing calcium carbonate with microstructure and nanostructure by using carbide slag as a raw material and ammonium chloride as a leaching agent was *** factors for the preparation of calcium carbonate and the effects of different conditions on the crystal phase,grain size,and morphology of calcium carbonate were systematically *** results showed that the nanosized calcium carbonate was prepared at 60 mL/min,25°C,no additional ammonia,and 60 *** product of spherical vaterite was in accordance with the relevant standards for the industrial precipitation of calcium ***,the reuse of carbonation filtrate was *** crystal phase,grain size,and morphology of the carbonation product could be controlled by adjusting the reaction *** manuscript provided a new idea for resource utilization of carbide slag and preparing nanocalcium carbonate.

关键词： Carbide slag Ammonium chloride Cyclic utilization Micro and nano structure Product control