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A Partial-Periodic Model for Predicting Structural Stiffness of Composite Laminate Beam Structures
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作者 Zhi Sun Bingyi Liang +2 位作者 Shanshan Shi Yichao Zhu& Xu Guo 《Acta Mechanica Solida Sinica》 2025年第4期559-569,共11页
A partial-periodic model is proposed for predicting structural properties of composite laminate structures.The partial-periodic model contains periodic boundary conditions in one direction or two directions,and free b... A partial-periodic model is proposed for predicting structural properties of composite laminate structures.The partial-periodic model contains periodic boundary conditions in one direction or two directions,and free boundary condition in other directions.In the present study,partial-periodic model for composite laminate beam structures is particularly studied.Three-point bending experiments for laminate beam specimens with different laying parameters are firstly used to verify the present partial-periodic model.In addition,a detailed finite element method(FEM)model is also used to further quantitatively compare with the present partial-periodic model for composite laminate beams with different laying parameters.The results indicate that the proposed partial-periodic model is capable of providing accurate predictions in most cases.The computational time cost of the proposed partial-periodic model is much lower than that of the detailed FEM model as well.Convergence studies are also conducted for the present partial-periodic model with different model sizes and element sizes.It is suggested that the proposed partial-periodic model has the potential to be used as an accurate and time-saving tool for predicting the structural properties of composite laminate beam structures. 展开更多
关键词 COMPOSITES LAMINATES Mechanical properties Partial-periodic model
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A universal antisolvent strategy for the synthesis of luminescent 0D metal halide perovskites
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作者 Qianqi Yang Datao Tu Xueyuan Chen 《Science China Chemistry》 2026年第2期521-522,共2页
Zero-dimensional(0D)organic-inorganic metal halide perovskite is one of the hot research topics in the field of optoelectronic materials.Their structure generally consists of discrete metal halide octahedra entirely i... Zero-dimensional(0D)organic-inorganic metal halide perovskite is one of the hot research topics in the field of optoelectronic materials.Their structure generally consists of discrete metal halide octahedra entirely isolated by surrounding organic cations,forming independent luminescent centers[1,2].Such a configuration results in high exciton binding energy and exceptional luminescence efficiency,due to strong quantum confinement[3,4]. 展开更多
关键词 optoelectronic materialstheir organic cationsforming exciton binding energy discrete metal halide octahedra organic inorganic metal halide perovskite independent luminescent centers such universal antisolvent strategy optoelectronic materials
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Experimental study on damage characteristics of t-shaped stiffened plates subjected to different types of shaped charges:Linear-shaped charge,embowed linear-shaped charge,and embowed linear explosively formed projectile
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作者 Shenhe Zhang Zhifan Zhang +4 位作者 Shuxin Yang Longkan Wang Yutong Sui Guiyong Zhang Zhi Zong 《Defence Technology(防务技术)》 2026年第2期231-243,共13页
In order to investigate the penetration performance of Linear-Shaped Charge(LSC),Embowed LinearShaped Charge(ELSC),and Embowed Linear Explosively Formed Projectile(ELEFP)on T-shaped stiffened plates,a series of near-f... In order to investigate the penetration performance of Linear-Shaped Charge(LSC),Embowed LinearShaped Charge(ELSC),and Embowed Linear Explosively Formed Projectile(ELEFP)on T-shaped stiffened plates,a series of near-field air-burst experiments are conducted.The damage modes and characteristics of the target plates are compared and analyzed.Each flat plate section is completely punctured,resulting in a penetration hole.The damage modes induced by the three charge types on the stiffened plate structure are consistent,characterized by shear failure in the central region of the flat plate due to penetration by the penetrator,localized plastic deformation of the flat plate,and local penetration failure resulting from partial perforation of the central stiffener.The penetration lengths caused by ELSC and ELEFP are 45.1%and 46.1% larger than that of LSC,while the half-width of the penetration hole generated by ELEFP is 54.2% and 24.7% smaller than that of ELSC and LSC,respectively.The penetration height caused by ELEFP are 17.5%and 62.1% larger than that of ELSC and LSC,respectively.The stiffener effectively segments the damage area,enhancing the local structural strength and limiting the extent of plastic deformation in the flat plate section.The comparative results show that the ELSC proves to be more effective for efficient large-scale damage,and ELEFP is more suitable for achieving efficient localized damage. 展开更多
关键词 Linear-shaped charge Embowed linear-shaped charge Embowed linear explosively formed PROJECTILE Near-filed explosion Penetration performance Stiffened plate
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Selective heterometal doping in isostructural clusters converts phosphorescence to TADF with over 100-fold enhancing
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作者 Xu-Yang Ding Jin-Yun Wang +3 位作者 Lin-Xi Shi Zhi-Ping Kang Hao Zeng Zhong-Ning Chen 《Science China Chemistry》 2026年第2期716-722,共7页
Precise heterometal doping or substitution of specific metal sites in isostructural metal clusters remains a formidable synthetic challenge,despite its transformative potential for modulating excited-state characteris... Precise heterometal doping or substitution of specific metal sites in isostructural metal clusters remains a formidable synthetic challenge,despite its transformative potential for modulating excited-state characteristics and customizing optical properties.In this work,we achieved the precise synthesis of isostructural alloy clusters R/S-Ag_(3)Cu([Ag_(3)Cu(tppm)(R/S-IPTT)]ClO_(4),R/S-IPTT=R/S-4-isopropylthiazolidine-2-thiolate,tppm=tris(diphenylphosphino)methane)in high yield(89%-91%)through selective doping of a Cu(Ⅰ)atom into chiral homometallic cluster enantiomers R/S-Ag_(4)([Ag_(4)(tppm)(R/S-IPTT)]ClO_(4)).In stark contrast to R/S-Ag_(4)(Φ_(em)<0.5%)that displays weak circularly polarized luminescence(CPL)with phosphorescence characteristic,R/S-Ag_(3)Cu(Φ_(em)≈70%)demonstrates strong CPL properties featured with thermally activated delay fluorescence(TADF)at ambient temperature.The selective substitution of the apical Ag(Ⅰ)atom in Ag_(4)triangular pyramid with a Cu(Ⅰ)atom not only gives rise to beyond 100-fold boosting of photoluminescence quantum yield(PLQY),but also leads to more pronounced optically chiral activity of alloy clusters in excited states in view of the larger photoluminescence dissymmetry factors(g_(PL))of R/S-Ag_(3)Cu(-3.5×10^(-3)/3.4×10^(-3))than that of R/S-Ag_(4)(-2.7×10^(-3)/2.6×10^(-3)).Furthermore,compared with chiral homometallic clusters R/S-Cu_(4)([Cu_(4)(tppm)(R/S-IPTT)]ClO_(4))with the same TADF characteristic at ambient temperature,R/S-Ag_(3)Cu manifests 1.7-fold PLQY and 6-fold g_(PL)due to faster reverse intersystem crossing(RISC)and more effective coupling of electric and magnetic transition moments in alloy clusters.This work not only presents a typical example of selective heterometal doping to modulate excited-state properties of isostructural metal clusters,but also gets deeper insight into the doping chemistry of dissimilar metals at the molecular level. 展开更多
关键词 heterometal doping alloy cluster PHOTOLUMINESCENCE thermally activated delay fluorescence circularly polarized luminescence
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A novel Angle-Constrained Optimization method of Conformal Lattice Structures
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作者 Jun Yan Weibin Xu +2 位作者 Fuhao Wang Sixu Huo Kun Yan 《Computer Modeling in Engineering & Sciences》 2026年第2期269-295,共27页
Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimizat... Conformal truss-like lattice structures face significant manufacturability challenges in additive manufac-turing due to overhang angle limitations.To address this problem,we propose a novel angle-constrained optimization method grounded in the global adjustment of nodal coordinates.First,a build direction is selected to minimize the number of violating struts.Then,an angular-constraint matrix is assembled from strut direction vectors,and analytical sensitivities with respect to nodal coordinates are derived to enable efficient constrained optimization under nonlinear angular inequality constraints.Numerical studies on two complex curved-surface lattices demonstrate that all overhang violations are eliminated while only minor changes are induced in global stiffness and strength.In particular,the maximum displacement of an ergonomic insole varies by only 2.87%after optimization.The results confirm the method’s versatility and engineering robustness,providing a practical approach for additive manufacturing-oriented lattice structure design. 展开更多
关键词 Conformal lattice structures additive manufacturing structural optimization complex structures
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Autonomous dispatch trajectory planning of carrier-based vehicles:An iterative safe dispatch corridor framework
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作者 Keyan Li Xin Li +7 位作者 Yu Wu Zhilong Deng Yan Wang Yishuo Meng Bai Li Xichao Su Lei Wang Xinwei Wang 《Defence Technology(防务技术)》 2026年第2期83-95,共13页
As carrier aircraft sortie frequency and flight deck operational density increase,autonomous dispatch trajectory planning for carrier-based vehicles demands efficient,safe,and kinematically feasible solutions.This pap... As carrier aircraft sortie frequency and flight deck operational density increase,autonomous dispatch trajectory planning for carrier-based vehicles demands efficient,safe,and kinematically feasible solutions.This paper presents an Iterative Safe Dispatch Corridor(iSDC)framework,addressing the suboptimality of the traditional SDC method caused by static corridor construction and redundant obstacle exploration.First,a Kinodynamic-Informed-Bidirectional Rapidly-exploring Random Tree Star(KIBRRT^(*))algorithm is proposed for the front-end coarse planning.By integrating bidirectional tree expansion,goal-biased elliptical sampling,and artificial potential field guidance,it reduces unnecessary exploration near concave obstacles and generates kinematically admissible paths.Secondly,the traditional SDC is implemented in an iterative manner,and the obtained trajectory in the current iteration is fed into the next iteration for corridor generation,thus progressively improving the quality of withincorridor constraints.For tractors,a reverse-motion penalty function is incorporated into the back-end optimizer to prioritize forward driving,aligning with mechanical constraints and human operational preferences.Numerical validations on the data of Gerald R.Ford-class carrier demonstrate that the KIBRRT^(*)reduces average computational time by 75%and expansion nodes by 25%compared to conventional RRT^(*)algorithms.Meanwhile,the iSDC framework yields more time-efficient trajectories for both carrier aircraft and tractors,with the dispatch time reduced by 31.3%and tractor reverse motion proportion decreased by 23.4%relative to traditional SDC.The presented framework offers a scalable solution for autonomous dispatch in confined and safety-critical environment,and an illustrative animation is available at bilibili.com/video/BV1tZ7Zz6Eyz.Moreover,the framework can be easily extended to three-dimension scenarios,and thus applicable for trajectory planning of aerial and underwater vehicles. 展开更多
关键词 Autonomous dispatch trajectory planning Carrier-based vehicle Optimal control RRT^(*) Safe dispatch corridor
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Identification of the state-space model and payload mass parameter of a flexible space manipulator using a recursive subspace tracking method 被引量:9
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作者 Zhiyu NI Jinguo LIU +1 位作者 Zhigang WU Xinhui SHEN 《Chinese Journal of Aeronautics》 SCIE EI CAS CSCD 2019年第2期513-530,共18页
The on-orbit parameter identification of a space structure can be used for the modification of a system dynamics model and controller coefficients. This study focuses on the estimation of a system state-space model fo... The on-orbit parameter identification of a space structure can be used for the modification of a system dynamics model and controller coefficients. This study focuses on the estimation of a system state-space model for a two-link space manipulator in the procedure of capturing an unknown object, and a recursive tracking approach based on the recursive predictor-based subspace identification(RPBSID) algorithm is proposed to identify the manipulator payload mass parameter. Structural rigid motion and elastic vibration are separated, and the dynamics model of the space manipulator is linearized at an arbitrary working point(i.e., a certain manipulator configuration).The state-space model is determined by using the RPBSID algorithm and matrix transformation. In addition, utilizing the identified system state-space model, the manipulator payload mass parameter is estimated by extracting the corresponding block matrix. In numerical simulations, the presented parameter identification method is implemented and compared with the classical algebraic algorithm and the recursive least squares method for different payload masses and manipulator configurations. Numerical results illustrate that the system state-space model and payload mass parameter of the two-link flexible space manipulator are effectively identified by the recursive subspace tracking method. 展开更多
关键词 Flexible space manipulator LINEARIZATION PARAMETER IDENTIFICATION STATE-SPACE model SUBSPACE methods
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A NEW APPROACH FOR THE SOLUTION OF SINGULAR OPTIMUM IN STRUCTURAL TOPOLOGY OPTIMIZATION 被引量:14
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作者 郭旭 程耿东 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 1997年第2期171-178,共8页
In order to overcome the difficulties caused by singular optima, in the present paper, a new method for the solutions of structural topology optimization problems is proposed. The distinctive feature of this method is... In order to overcome the difficulties caused by singular optima, in the present paper, a new method for the solutions of structural topology optimization problems is proposed. The distinctive feature of this method is that instead of solving the original optimization problem directly, we turn to seeking the solutions of a sequence of approximated problems which are formulated by relaxing the constraints of the original problem to some extent. The approximated problem can be solved efficiently by employing the algorithms developed for sizing optimization problems because its solution is not singular. It can also be proved that when the relaxation parameter is tending to zero, the solution of the approximated problem will converge to the solution of the original problem uniformly. Numerical examples illustrate the effectiveness and validity of the present approach. Results are also compared with those obtained by traditional methods. 展开更多
关键词 topology optimization point to set mapping singular optima
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Knockdown factor of buckling load for axially compressed cylindrical shells:state of the art and new perspectives 被引量:4
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作者 Bo Wang Peng Hao +1 位作者 Xiangtao Ma Kuo Tian 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2022年第1期1-18,共18页
Thin-walled structures are commonly utilized in aerospace and aircraft structures,which are prone to buckling under axial compression and extremely sensitive to geometric imperfections.After decades of efforts,it stil... Thin-walled structures are commonly utilized in aerospace and aircraft structures,which are prone to buckling under axial compression and extremely sensitive to geometric imperfections.After decades of efforts,it still remains a challenging issue to accurately predict the lower-bound buckling load due to the impact of geometric imperfections.Up to now,the lower-bound curve in NASA SP-8007 is still widely used as the design criterion of aerospace thin-walled structures,and this series of knockdown factors(KDF)has been proven to be overly conservative with the significant promotion of the manufacturing process.In recent years,several new numerical and experimental methods for determining KDF have been established,which are systematically reviewed in this paper.The Worst Multiple Perturbation Load Approach(WMPLA)is one of the most representative methods to reduce the conservatism of traditional methods in a rational manner.Based on an extensive collection of test data from 1990 to 2020,a new lower-bound curve is approximated to produce a series of improved KDFs.It is evident that these new KDFs have an overall improvement of 0.1-0.3 compared with NASA SP-8007,and the KDF predicted by the WMPLA is very close to the front of the new curve.This may provide some insight into future design guidelines of axially compressed cylindrical shells,which is promising for the lightweight design of large-diameter aerospace structures. 展开更多
关键词 Thin-walled structures Cylindrical shells Imperfection sensitivity Knockdown factor(KDF) Buckling experiment
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Synthesis and Structural Characterization of a New Cadmium(II) Complex with a Double Betaine 被引量:5
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作者 ZHENG Fa-Kun WU A-Qing +2 位作者 LI Yan GUO Guo-Cong HUANG Jin-Shun 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2005年第8期940-944,共5页
A new flexible double betaine L (L = 1,4-bis(pyridinio-4-carboxylato-N-methyl)benzene, C20H16N2O4) and its cadmium(Ⅱ) complex [Cd(H2O)aL(NO3)]NO3.H2O 1 were synthesized. Complex 1 was obtained by self-assem... A new flexible double betaine L (L = 1,4-bis(pyridinio-4-carboxylato-N-methyl)benzene, C20H16N2O4) and its cadmium(Ⅱ) complex [Cd(H2O)aL(NO3)]NO3.H2O 1 were synthesized. Complex 1 was obtained by self-assembly reaction of [Cd(NO3)2]-4H2O and L in hot water,and its crystal structure was determined by single-crystal X-ray diffraction analysis. Crystallographic data for complex 1: C20H24CdN4O14.H2O, Mr = 674.85, monoclinic, space group P21/c, a =13.7854(3), b = 14.2820(3), c = 14.9188(4) ,A°, β = 116.418(1)°, V = 2630.5(1)A°^3, Z = 4, Dc= 1.704g/cm^3,/J(MoKα) = 0.911 mm^-1, F(000) = 1368, the final R = 0.0315 and wR = 0.0768 for 3637 observed reflections with I 〉 2σ(I). In complex 1, L acts as a monodentate ligand to link a Cd(Ⅱ) ion in a novel coordination mode of double betaines. The mononuclear [Cd(H2O)aL(NO3)] units are connected through intermolecular hydrogen bonds and π-π stacking reactions to generate a 3D network. 展开更多
关键词 cadmium(Ⅱ) complex crystal structure double betaine hydrogen bonds
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Design of Structural Left-handed Material based on Topology Optimization 被引量:3
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作者 许卫锴 刘书田 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2010年第2期282-286,共5页
An effective method to design structural Left-handed material(LHM) was proposed. A commercial finite element software HFSS and S-parameter retrieval method were used to determine the effective constitutive parameter... An effective method to design structural Left-handed material(LHM) was proposed. A commercial finite element software HFSS and S-parameter retrieval method were used to determine the effective constitutive parameters of the metamaterials, and topology optimization technique was introduced to design the microstructure configurations of the materials with desired electromagnetic characteristics. The material considered was a periodic array of dielectric substrates attached with metal film pieces. By controlling the arrangements of the metal film pieces in the design domain, the potential microstructure with desired electromagnetic characteristics can be obtained finally. Two different LHMs were obtained with maximum bandwidth of negative refraction, and the experimental results show that negative refractive indices appear while the metamaterials have simultaneously negative permittivity and negative permeability. Topology optimization technique is found to be an effective tool for configuration design of LHMs. 展开更多
关键词 left-handed materials (LHM) METAMATERIALS negative refractive index material design topology optimization
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Seismic design or retrofit of buildings with metallic structural fuses by the damage-reduction spectrum 被引量:3
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作者 Li Gang Jiang Yi +2 位作者 Zhang Shuchuan Zeng Yan Li Qiang 《Earthquake Engineering and Engineering Vibration》 SCIE EI CSCD 2015年第1期85-96,共12页
Recently, the structural fuse has become an important issue in the field of earthquake engineering. Due to the trilinearity of the pushover curve of buildings with metallic structural fuses, the mechanism of the struc... Recently, the structural fuse has become an important issue in the field of earthquake engineering. Due to the trilinearity of the pushover curve of buildings with metallic structural fuses, the mechanism of the structural fuse is investigated through the ductility equation of a single-degree-of-freedom system, and the corresponding damage-reduction spectrum is proposed to design and retrofit buildings. Furthermore, the controlling parameters, the stiffness ratio between the main frame and structural fuse and the ductility factor of the main frame, are parametrically studied, and it is shown that the structural fuse concept can be achieved by specific combinations of the controlling parameters based on the proposed damage-reduction spectrum. Finally, a design example and a retrofit example, variations of real engineering projects after the 2008 Wenchuan earthquake, are provided to demonstrate the effectiveness of the proposed design procedures using buckling restrained braces as the structural fuses. 展开更多
关键词 seismic design structural fuse damage-reduction spectrum RETROFIT
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An iterative algorithm for analysis of coupled structural-acoustic systems subject to random excitations 被引量:2
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作者 Guo-Zhong Zhao Gang Chen Zhan Kang 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2012年第2期458-467,共10页
This paper analyzes the random response of structural-acoustic coupled systems. Most existing works on coupled structural-acoustic analysis are limited to systems under deterministic excitations due to high computatio... This paper analyzes the random response of structural-acoustic coupled systems. Most existing works on coupled structural-acoustic analysis are limited to systems under deterministic excitations due to high computational cost required by a random response analysis. To reduce the computational burden involved in the coupled random analysis, an iterative procedure based on the Pseudo excitation method has been developed. It is found that this algorithm has an overwhelming advantage in computing efficiency over traditional methods, as demonstrated by some numerical examples given in this paper. 展开更多
关键词 Random excitation Coupled structural-acoustic systems Pseudo excitation method
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Structural engineering of cathodes for improved Zn-ion batteries 被引量:4
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作者 Jiajia Huang Yuying Li +9 位作者 Ruikuan Xie Jianwei Li Zhihong Tian Guoliang Chai Yanwu Zhang Feili Lai Guanjie He Chuntai Liu Tianxi Liu Dan J.L.Brett 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2021年第7期147-155,共9页
Aqueous zinc-ion batteries(ZIBs) are attracting considerable attention because of their low cost,high safety and abundant anode material resources.However,the major challenge faced by aqueous ZIBs is the lack of stabl... Aqueous zinc-ion batteries(ZIBs) are attracting considerable attention because of their low cost,high safety and abundant anode material resources.However,the major challenge faced by aqueous ZIBs is the lack of stable and high capacity cathode materials due to their complicated reaction mechanism and slow Zn-ion transport kinetics.This study reports a unique 3 D ’flower-like’ zinc cobaltite(ZnCo_(2)O_(4-x)) with enriched oxygen vacancies as a new cathode material for aqueous ZIBs.Computational calculations reveal that the presence of oxygen vacancies significantly enhances the electronic conductivity and accelerates Zn^(2+) diffusion by providing enlarged channels.The as-fabricated batteries present an impressive specific capacity of 148.3 mAh g^(-1) at the current density of 0.05 A g^(-1),high energy(2.8 Wh kg^(-1)) and power densities(27.2 W kg^(-1)) based on the whole device,which outperform most of the reported aqueous ZIBs.Moreover,a flexible solid-state pouch cell was demonstrated,which delivers an extremely stable capacity under bending states.This work demonstrates that the performance of Zn-ion storage can be effectively enhanced by tailoring the atomic structure of cathode materials,guiding the development of low-cost and eco-friendly energy storage materials. 展开更多
关键词 Zinc cobaltite Oxygen vacancies Aqueous zinc-ion batteries Flexible solid-state pouch cell
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Research progress in electrospinning engineering for all-solid-state electrolytes of lithium metal batteries 被引量:7
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作者 Manxi Wang Yaling Wu +14 位作者 Min Qiu Xuan Li Chuanping Li Ruiling Li Jiabo He Ganggang Lin Qingrong Qian Zhenhai Wen Xiaoyan Li Ziqiang Wang Qi Chen Qinghua Chen Jinhyuk Lee Yiu-Wing Mai Yuming Chen 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2021年第10期253-268,I0008,共17页
Owing to safety issue and low energy density of liquid lithium-ion batteries(LIBs),all-solid-state lithium metal batteries(ASLMBs)with unique all-solid-state electrolytes(SEs)have attracted wide attentions.This arises... Owing to safety issue and low energy density of liquid lithium-ion batteries(LIBs),all-solid-state lithium metal batteries(ASLMBs)with unique all-solid-state electrolytes(SEs)have attracted wide attentions.This arises mainly from the advantages of the SEs in the suppression of lithium dendrite growth,long cycle life,and broad working temperature range,showing huge potential applications in electronic devices,electric vehicles,smart grids,and biomedical devices.However,SEs suffer from low lithiumion conductivity and low mechanical integrity,slowing down the development of practical ASLMBs.Nanostructure engineering is of great efficiency in tuning the structure and composition of the SEs with improved lithium-ion conductivity and mechanical integrity.Among various available technologies for nanostructure engineering,electrospinning is a promising technique because of its simple operation,cost-effectiveness,and efficient integration with different components.In this review,we will first give a simple description of the electrospinning process.Then,the use of electrospinning technique in the synthesis of various SEs is summarized,for example,organic nanofibrous matrix,organic/inorganic nanofibrous matrix,and inorganic nanofibrous matrix combined with other components.The current development of the advanced architectures of SEs through electrospinning technology is also presented to provide references and ideas for designing high-performance ASLMBs.Finally,an outlook and further challenges in the preparation of advanced SEs for ASLMBs through electrospinning engineering are given. 展开更多
关键词 Solid-state composite electrolyte Lithium metal batteries Electrospinning engineering Organic/inorganic matrices
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Prediction of the Frontier Electronic States in a Finite Single-wall Carbon Nanotube 被引量:2
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作者 贾桂霄 刘丽 +2 位作者 乔喜元 章永凡 李俊篯 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第2期223-234,共12页
A theoretical model is summarized into the shorter vector principle. It is used to predict the topological structure of wave function and the oscillation rule of energy gap in various types of finite carbon nanotubes ... A theoretical model is summarized into the shorter vector principle. It is used to predict the topological structure of wave function and the oscillation rule of energy gap in various types of finite carbon nanotubes (CNTs). The theoretical model indicates that the characteristics of the electronic states only depend on the nanotube size and its symmetry along the shorter vector direction. In this direction, the wave functions of the original 3m (or 3m/2) periodicity are also suitable for armchair, chiral and zigzag finite CNTs with the C2 (Cs), C1 and Cn point groups, respectively. Energy gaps present the oscillation with 3m (or 3m/2) or odd-even n. The first principle calculations for some prototype systems are performed. The results are consistent with the theoretical model. 展开更多
关键词 shorter vector principle carbon nanotubes wave function energy gap
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A Novel 3D Extended Network Cobalt Paradodecatungstate:Synthesis,Characterization and Crystal Structure of [Co(H_2O)_5]_2[Co(H_2O)_4]_3[H_2W_(12)O_(42)]·11H_2O 被引量:2
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作者 WANG Jing-Ping REN Qing +1 位作者 ZHAO Jun-Wei NIU Jing-Yang 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2006年第10期1167-1174,共8页
A cobalt paradodecatungstate [Co(H2O)5]2[Co(H2O)4]3[H2W12O42]·11H2O has been successfully synthesized and structurally characterized by X-ray crystallography. Structure analysis indicates that the title compo... A cobalt paradodecatungstate [Co(H2O)5]2[Co(H2O)4]3[H2W12O42]·11H2O has been successfully synthesized and structurally characterized by X-ray crystallography. Structure analysis indicates that the title compound is of monoclinic, space group P21/n, with a = 13.449(3), b = 19.585(4), c = 13.990(3) °A, = 113.79(3)°, V = 3371.8(12) °A^3, Z = 2, R = 0.0519 and wR = 0.1242. The title compound exhibits a novel 3D extended network structure constructed by interconnecting the paradodecatungstate polyanion [H2W12O42]^10- clusters and cobalt^11 coordination ions. 展开更多
关键词 paradodecatungstate POLYOXOMETALATE COBALT Keggin structure
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Synthesis and Structural Chemistry of Two Novel Transition Metal Organic Phosphonates 被引量:1
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作者 胡进 张汉辉 +4 位作者 曹彦宁 张春刚 张帅 陈义平 孙瑞卿 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2009年第8期939-946,共8页
Two novel transition metal phosphonate compounds, [Co(H2BDPP)(phen)]n 1 (BDPP = p-O3PCH2(C6H4)CH2PO3, phen = 1,10-phenanthroline) and [Pb3(BCP)2]n 2 (BCP = OOC(C6H4)CH2PO3), have been synthesized and str... Two novel transition metal phosphonate compounds, [Co(H2BDPP)(phen)]n 1 (BDPP = p-O3PCH2(C6H4)CH2PO3, phen = 1,10-phenanthroline) and [Pb3(BCP)2]n 2 (BCP = OOC(C6H4)CH2PO3), have been synthesized and structurally determined by X-ray single-crystal diffraction. Compound 1 crystallizes in the monoclinic system, space group C2/c with a = 21.169(4), b = 12.001(2), c = 7.6211(15)A, β = 98.03(3)°, V= 1917.2(6)A^3, C20H18N2O6P2Co, Mr = 505.22, Z = 8, De= 1.737 g/cm^3, p = 1.107 mm^-1, F(000) = 1020, the final R= 0.0450 and wR = 0.1306 for 2072 observed reflections (I 〉 2σ(I). Compound 2 crystallizes in the monoclinic system, space group C2/c with a = 4.7167(9), b = 18.753(2), c = 22.781(3)A, β = 91.07(3)°, V= 2014.7(14)A^, C8H6O5PPb1.5, Mr = 523.88, Z = 8, Dc = 3.454 g/cm^3, p = 25.222 mm^-1, F(000) = 1856, the final R = 0.0441 and wR = 0.1906 for 2259 observed reflections (I 〉 2σ(I). In compound 1, the 1D chain running along the c axis is bridged by four ligands (trans- HO3PCH2C6H4CH2PO3H) in four different directions to extend the structure into a three- dimensional network. In compound 2, the Pb(II) displays 4- and 5-coordination modes. There is a one-dimensional P-O-Pb band along the a axis formed by PO3 groups and Pb(II) cations. These bands are joined by μ2-O of -COO to yield two-dimensional inorganic P-O-Pb layers which are pillared by the OOCC6HaCH2PO3 ligands to form a three-dimensional network. Moreover, compound 2 displays a strong emission band attributed to the ligand-centered (LC) transition. 展开更多
关键词 transition metal organic phosphonate hydrothermal synthesis crystal structure
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Structural engineering design of carbon dots for lubrication 被引量:1
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作者 Chuang He Shuang E +1 位作者 Honghao Yan Xiaojie Li 《Chinese Chemical Letters》 SCIE CAS CSCD 2021年第9期2693-2714,共22页
Carbon dots(CDs)have opened up a new field of carbon nanomaterials and successively attracted increasing attention since their discovery in 2004.Owing to their ultrasmall size,tunable surface functional groups,excelle... Carbon dots(CDs)have opened up a new field of carbon nanomaterials and successively attracted increasing attention since their discovery in 2004.Owing to their ultrasmall size,tunable surface functional groups,excellent dispersibility,attractive stability,low toxicity,environmental friendliness,facile synthesis and low-cost precursors,CDs have been developed as green and promising frictionreducing and anti-wear materials in lubrication science,applied to energy conservation and extension of mechanical service life in recent years.However,there are few reviews focusing on the application of CDs in the important field of lubrication.In this review,we comprehensively summarize the development of CDs in lubrication for the first time.Firstly,three strategies for structural engineering design of CDs to improve their tribological characteristics are fully analyzed,in terms of size and shape control,surface modification and heteroatom doping.Secondly,the advance in lubrication application of CDs,including CDs as additives for lubricants,greases,gel and magnetorheological fluids as well as CDs as lubricating coatings,is systematically highlighted.Thirdly,the lubricating mechanisms of CDs as additives are introduced in detail.Furthermore,the remaining major challenges and opportunities for CDs in lubrication field are discussed and outlined. 展开更多
关键词 Carbon dots LUBRICATION Tribological characteristics Lubricating mechanism
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Three Inorganic-organic Composite Polyoxotungstates:Syntheses,Characterization and Structures of [Cu(2,2ˊ-bpy)_2]_5[α-PW_(11.5)Cu_(0.5)O_(40)]·2H_2O,[Co(2,2ˊ-bpy)_2(N_3)_2]_4H_3[α-PW_(12)O_(40)]·3H_2O and [Cu(2,2ˊ-bpy)_2(4,4ˊ-bpy)]_2[α-GeW_(12)O_ 被引量:1
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作者 赵俊伟 张杰 +1 位作者 郑寿添 杨国昱 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2008年第8期933-942,共10页
Three new inorganic-organic composite polyoxotungstates [Cu(2,2'-bpy)2]5[α-PW11.5Cu0.5O40]·2H2O 1, [Co(2,2'-bpy)2(N3)2]4H3[α-PW12O40]·3H2O 2 and [Cu(2,2'-bpy)2(4,4'-bpy)]2[α-GeW12O40]-4H2O 3... Three new inorganic-organic composite polyoxotungstates [Cu(2,2'-bpy)2]5[α-PW11.5Cu0.5O40]·2H2O 1, [Co(2,2'-bpy)2(N3)2]4H3[α-PW12O40]·3H2O 2 and [Cu(2,2'-bpy)2(4,4'-bpy)]2[α-GeW12O40]-4H2O 3 (2,2'-bpy = 2,2'-bipyridine, 4,4'-bpy = 4,4'-bipyridine) have been hydrothermally synthesized and structurally characterized. 1 crystallizes in the orthorhombic space group Pna21 with a = 27.847(3), b = 21.597(2), c = 20.1179(19)A, V= 12099(2)A^3, Z= 4, GOF= 1.038, R = 0.0427 and wR = 0.1035; 2 belongs to the triclinic space group P1^- with a = 12.31150(10), b = 16.1954(4), c = 19.36290(10)A, α = 99.366(11), β =105.168(8), γ = 111.836(8)°, V = 3309.98(9)A3, Z = l, GOF = 1.024, R = 0.0739 and wR = 0.2216; and 3 crystallizes in the monoclinic space group P21/n with a = 12.858(4), b = 20.943(6), c = 15.598(5)A, β = 102.338(5)°, V= 4103(2)A3, Z = 2, GOF = 1.026, R = 0.0557 and wR = 0.1316. The common structural features of 1-3 are that their molecular structures all consist of a saturated a-Keggin polyoxoanion and several discrete metal-organic moieties. Intriguingly, 2 and 3 are composed of metal-organic coordination moieties with two mixed ligands. 展开更多
关键词 polyoxometalate copper cobalt tungsten Keggin structure
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