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Phase reconfiguration of heterogeneous CoFeS/CoNiS nanoparticles for superior battery-type supercapacitors

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Journal of Energy Chemistry 2024年第9期96卷 217-225页

作者： lina ma Fan li Min Zhou Jidong Dong Hao Luo Wei Zhang Wenchao Zhao xinliang li Zaixing Jiang Yudong Huang College of Chemistry and Chemical Engineering Qingdao UniversityQingdao 266071ShandongChina School of materials Science and Engineering Xiamen University of TechnologyXiamen 361024FujianChina Co-Innovation Center of Efficient Processing and Utilization of Forest Resources College of Materials Science and EngineeringNanjing Forestry UniversityNanjing 210037JiangusChina Key Laboratory of material Physics Ministry of EducationSchool of Physics and MicroelectronicsZhengzhou UniversityZhengzhou 450052HenanChina MIIT Key Laboratory of Critical materials Technology for New Energy Conversion and Storage State Key Laboratory of Urban Water Resource and EnvironmentSchool of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150001HeilongjiangChina material Science and Engineering College Northeast Forestry UniversityHarbin 150040HeilongjiangChina

Developing advanced battery-type materials with abundant active sites,high conductivity,versatile morphologies,and hierarchically porous structures is crucial for realizing high-quality hybrid ***,heterogeneous FeS@NiS is synthesized by cationic Co doping via surface-structure *** density functional theory(DFT)theoretical calculations are firstly performed to predict the advantages of Co dopant by improving the OH^(−)adsorption properties and adjusting electronic structure,benefiting ions/electron *** dynamic surface evolution is further explored which demonstrates that CoFeS@CoNiS could be quickly reconstructed to Ni(Co)Fe_(2)O_(4)during the charging process,while the unstable structure of the amorphous Ni(Co)Fe_(2)O_(4)results in partial conversion to Ni/Co/FeOOH at high potentials,which contributes to the more reactive active site and good structural ***,the free-standing electrode reveals excellent electrochemical performance with a superior capacity(335.6 ma h g^(−1),2684 F g^(−1))at 3 A g^(−1).furthermore,the as-fabricated device shows a quality energy density of 78.1 W h kg^(−1)at a power density of 750 W kg^(−1)and excellent cycle life of 92.1%capacitance retention after 5000 *** work offers a facile strategy to construct versatile morphological structures using electrochemical activation and holds promising applications in energy-related fields.

关键词： In-situ reconfiguration Heterogeneous design Battery-type supercapacitors Superior performance Sulphide

Direct numerical simulation of passive scalar in decaying compressible turbulence

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Science China(Physics,Mechanics & Astronomy) 2004年第1期47卷 52-63页

作者： li xinliang fu dexun ma yanwen State Key Laboratory of Nonlinear Mechanics Institute of Mechanics Chinese Academy of Sciences Beijing 100080 China State Key Laboratory of Nonlinear Mechanics Institute of Mechanics Chinese Academy of Sciences Beijing 100080 China State Key Laboratory of Nonlinear Mechanics Institute of Mechanics Chinese Academy of Sciences Beijing 100080 China

The passive scalars in the decaying compressible turbulence with the initial Reynolds number (defined by Taylor scale and RMS velocity) Re=72, the initial turbulent mach numbers (defined by RMS velocity and mean sound speed) Mt=0.2—0.9, and the Schmidt numbers of passive scalar Sc=2—10 are numerically simulated by using a 7th order upwind difference scheme and 8th order group velocity control scheme. The computed results are validated with different numerical methods and different mesh sizes. The Batchelor scaling with k -1 range is found in scalar spectra. The passive scalar spectra decay faster with the increasing turbulent mach number. The extended self-similarity (ESS) is found in the passive scalar of compressible turbulence.

关键词： passive scalar, decaying compressible turbulence, direct numerical simulation.

DNS of compressible turbulent boundary layer around a sharp cone

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Science China(Physics,Mechanics & Astronomy) 2008年第6期51卷 699-714页

作者： li xinliang fu dexun ma yanwen State Key Laboratory of Nonlinear Mechanics Institute of MechanicsChinese Academy of SciencesBeijing 100080China

Direct numerical simulation of the turbulent boundary layer over a sharp cone with 20° cone angle (or 10° half-cone angle) is performed by using the mixed seventh- order up-wind biased finite difference scheme and sixth-order central difference scheme. The free stream mach number is 0.7 and free stream unit Reynolds number is 250000/inch. The characteristics of transition and turbulence of the sharp cone boundary layer are compared with those of the flat plate boundary layer. Statistics of fully developed turbulent flow agree well with the experimental and theoretical data for the turbulent flat-plate boundary layer flow. The near wall streak-like structure is shown and the average space between streaks (normalized by the local wall unit) keeps approximately invariable at different streamwise locations. The turbulent energy equation in the cylindrical coordinate is given and turbulent en-ergy budget is studied. The computed results show that the effect of circumferen-tial curvature on turbulence characteristics is not obvious.

关键词： direct numerical simulation boundary layer transition sharp-cone turbulent kinetic energy budget

Optimization of the MUSCL scheme by dispersion and dissipation

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Science China(Physics,Mechanics & Astronomy) 2012年第5期55卷 844-853页

作者： LENG Yan li xinliang fu dexun ma yanwen The State Key Laboratory of High-temperature Gas Dynamics(LHD) Institute of MechanicsChinese Academy of SciencesBeijing 100190China The State Key Laboratory of Nonlinear Mechanics(LNM) Institute of MechanicsChinese Academy of SciencesBeijing 100190China

A second-order optimized monotonicity-preserving MUSCL scheme(OMUSCL2) is developed based on the dispersion and dissipation optimization and monotonicity-preserving *** new scheme(OMUSCL2) is simple in expression and is easy for use in CFD *** with the original second-order or third-order MUSCL scheme,the new scheme shows nearly the same CPU cost and higher resolution to shockwaves and small-scale *** new scheme has been tested through a set of one-dimensional and two-dimensional tests,including the Shu-Osher problem,the Sod problem,the Lax problem,the two-dimensional double mach reflection and the RAE2822 transonic airfoil *** numerical tests show that,compared with the original MUSCL schemes,the new scheme causes fewer dispersion and dissipation errors and produces higher resolution.

关键词： MUSCL scheme monotonicity-preserving resolution dissipation/dispersion error optimization

Receptivity to free-stream disturbance waves for hypersonic flow over a blunt cone

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Science China(Physics,Mechanics & Astronomy) 2008年第11期51卷 1682-1690页

作者： ZHANG YuDong fu dexun ma yanwen li xinliang China Academy of Aerospace Aerodynamics Beijing 100074China LNM Institute of MechanicsChinese Academy of SciencesBeijing 100190China

A high-order shock-fitting finite difference scheme is studied and used to do direc-tion numerical simulation (DNS) of hypersonic unsteady flow over a blunt cone with fast acoustic waves in the free stream, and the receptivity problem in the blunt cone hypersonic boundary layers is studied. The results show that the acoustic waves are the strongest disturbance in the blunt cone hypersonic boundary layers. The wave modes of disturbance in the blunt cone boundary layers are first, second, and third modes which are generated and propagated downstream along the wall. The results also show that as the frequency decreases, the amplitudes of wave modes of disturbance increase, but there is a critical value. When frequency is over the critial value, the amplitudes decrease. Because of the discontinuity of curvature along the blunt cone body, the maximum amplitudes as a function of frequencies are not monotone.

关键词： receptivity shock-fitting compact upwind scheme DNS blunt cone

A 5th order monotonicity-preserving upwind compact difference scheme

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Science China(Physics,Mechanics & Astronomy) 2011年第3期54卷 511-522页

作者： HE ZhiWei li xinliang fu dexun ma yanwen The Key Laboratory of High Temperature Gas Dynamics Institute of Mechanics Chinese Academy of Sciences Beijing 100190 China The State Key Laboratory of Nonlinear Mechanics Institute of Mechanics Chinese Academy of Sciences Beijing 100190 China

Based on an upwind compact difference scheme and the idea of monotonicity-preserving, a 5th order monotonicity-preserving upwind compact difference scheme （m-UCD5） is proposed. The new difference scheme not only retains the advantage of good resolution of high wave number but also avoids the Gibbs phenomenon of the original upwind compact difference scheme. Compared with the classical 5th order WENO difference scheme, the new difference scheme is simpler and small in diffusion and computation load. By employing the component-wise and characteristic-wise methods, two forms of the new difference scheme are proposed to solve the N-S/Euler equation. Through the Sod problem, the Shu-Osher problem and tbe two-dimensional Double mach Reflection problem, numerical solutions have demonstrated this new scheme does have a good resolution of high wave number and a robust ability of capturing shock waves, leading to a conclusion that the new difference scheme may be used to simulate complex flows containing shock waves.

关键词： upwind compact scheme monotonicity-preserving compressible flows shock capturing scheme

Complex Transition of Double-Diffusive Convection in a Rectangular Enclosure with Height-to-Length Ratio Equal to 4: Part I

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Communications in Computational Physics 2009年第7期6卷 247-268页

作者： Xian liang xinliang li dexun fu yanwen ma Shanghai Institute of Applied mathematics and Mechanics Shanghai UniversityNo.149 Yanchang RoadShanghai 200072China LNM Institute of MechanicsChinese Academy of SciencesNo.15 Beisihuanxi RoadBeijing 100190China

This is the first part of direct numerical simulation(DNS)of double-diffusive convection in a slim rectangular enclosure with horizontal temperature and concentration *** consider the case with the thermal Rayleigh number of 105,the Pradtle number of 1,the Lewis number of 2,the buoyancy ratio of composition to temperature being in the range of[0,1],and height-to-width aspect ration of 4.A new 7thorder upwind compact scheme was developed for approximation of convective terms,and a three-stage third-order Runge-Kutta method was employed for time *** DNS suggests that with the buoyancy ratio increasing form 0 to 1,the flow of transition is a complex series changing from the steady to periodic,chaotic,periodic,quasi-periodic,and finally back to *** are two types of periodic flow,one is simple periodic flow with single fundamental frequency(FF),and another is complex periodic flow with multiple *** process is illustrated by using time-velocity histories,Fourier frequency spectrum analysis and the phase-space trajectories.

关键词： Double diffusive convection transition periodic motion chaotic motion high order compact

DNS of compressible turbulent boundary layer over a blunt wedge

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Science China(Physics,Mechanics & Astronomy) 2005年第2期48卷 129-141页

作者： li xinliang fu dexun ma Yanwan LNM Institute of Mechanics Chinese Academy of Sciences Beijing 100080 China LNM Institute of Mechanics Chinese Academy of Sciences Beijing 100080 China LNM Institute of Mechanics Chinese Academy of Sciences Beijing 100080 China

Direct numerical simulation of spatially evolving compressible boundary layer over a blunt wedge is performed in this paper. The free-stream mach number is 6 and the disturbance source produced by wall blowing and suction is located downstream of the sound-speed point. Statistics are studied and compared with the results in incompressible flat-plate boundary layer. The mean pressure gradient effects on the vortex structure are studied.

关键词： boundary layer, transition, direct numerical simulation, compressible turbulence.

On-surface synthesis and edge states of NBN-doped zigzag graphene nanoribbons

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Nano Research 2023年第7期16卷 10436-10442页

作者： Xiao Chang li Huang Yixuan gao Yubin fu Ji ma Huan Yang Junzhi liu Xiaoshuai fu Xiao lin xinliang Feng Shixuan Du Hong-Jun gao University of Chinese Academy of Sciences Beijing 100190China Beijing National Center for Condensed matter Physics Institute of PhysicsChinese Academy of SciencesBeijing 100190China Center for Advancing Electronics Dresden(CfAED)and Faculty of Chemistry and Food Chemistry Technische Universität DresdenDresden D-01069Germany max Planck Institute of Microstructure Physics Weinberg 2Halle 06120Germany Department of Chemistry State Key Laboratory of Synthetic ChemistryThe University of Hong KongHong Kong 999077China Songshan Lake materials Laboratory Dongguan 523808China

Zigzag graphene nanoribbons(ZGNRs)with spin-polarized edge states have potential applications in carbon-based *** electronic structure of ZGNRs can be effectively tuned by different widths or dopants,which requires delicately designed ***,we report the successful synthesis of ZGNR with a width of eight carbon zigzag lines and nitrogen-boronnitrogen(NBN)motifs decorated along the zigzag edges(NBN-8-ZGNR)on Au(111)surface,which starts from a specially designed U-shaped monomer with preinstalled NBN units at the zigzag ***-bond-resolved non-contact atomic force microscopy(nc-AFM)imaging confirms the zigzag-terminated edges and the existence of NBN *** electronic states distributed along the zigzag edges have been revealed after a silicon-layer intercalation at the interface of NBN-8-ZGNR and Au(111).Our work enriches the ZGNR family with a new dopant and larger width,which provides more candidates for future carbonbased nanoelectronic and spintronic applications.

关键词： zigzag graphene nanoribbons nitrogen-boron-nitrogen(NBN)dopant edge states scanning tunneling microscopy(STM) non-contact atomic force microscopy(nc-AFM) density functional theory(DFT)calculations