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International Journal of Minerals,Metallurgy and Materials 2012年第8期19卷 752-756页

作者： Tao Li juan-yu yang Shi-gang Lu General Research Institute for Nonferrous Metals Beijing 100088China

Silicon has been investigated intensively as a promising anode material for rechargeable lithium-ion batteries. The choice of a binder is very important to solve the problem of the large capacity fade observed along cycling. The effect of modified elastomeric binders on the electrochemical performance of crystalline nano-silicon powders was studied. Compared with the conventional binder （polyvinylidene fluoride （PVDF））, Si electrodes using the elastomeric styrene butadiene rubber （SBR） and sodium carboxymethyl cellulose （SCMC） com- bined binder show an improved cycling performance. The reversible capacity of the Si electrode with the SCMC/SBR binder is as high as 2221 mA.h/g for 30 cycles in a voltage window between 0.005 and 2 V. The structure changes from SEM images of the silicon electrodes with different binders were used to explore the property improvement.

关键词： lithium batteries silicon anodes electrochemical properties

Phase-field Modeling of the Influence of Elastic Field on the Nucleation and Microstructure Evolution in Precipitation

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Chinese Journal of Aeronautics 2007年第2期20卷 107-110页

作者： ZHANG yu-xiang WANG Jin-cheng yang yu-juan yang Gen-cang ZHOU Yao-he State Key Laboratory of Solidification Processing Northwestern Polytechnical University Xi＇an 710072 China

A phase-field method was employed to study the influence of elastic field on the nucleation and microstructure evolution. Two kinds of nucleation process were considered： one using fixed nucleation probability and the other calculated from the classical nucleation theory. In the latter case, the simulated results show that the anisotropic elastic strain field yields significant effects on the behavior of nucleation. With a large lattice misfit between the matrixes and the precipitates, the nucleation process does not appear fully random but displays some spatial correlation and has a preference for the elastic soft direction. However, with a small lattice misfit, this bias does not look quite clear. On the contrary, in the case of fixed nucleation probability, the elastic field has no influence on the nucleation process. The lattice mismatch also exerts influences on the microstructure morphology： with lattice mismatch becoming larger, the microstructure proves to align along the elastic soft direction.

关键词： elastic field nucleation phase-field method precipitation

Failure mechanism of bulk silicon anode electrodes for lithium-ion batteries

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Rare Metals 2013年第3期32卷 299-304页

作者： Tao Li juan-yu yang Shi-Gang Lu Han Wang Hai-yang Ding National Center of Analysis and Testing for Nonferrous Metals and Electronic Materials General Research Institute for Nonferrous Metals R&D Center for Vehicle Battery and Energy Storage General Research Institute for Nonferrous Metals

Silicon has been investigated extensively as a promising anode material for rechargeable lithium-ion bat- teries. Understanding the failure mechanism of silicon-based anode electrodes for lithium-ion batteries is essential to solve the problem of low coulombic efficiency and capacity fading on cycling and also to further commercialize this very new energetic material in cells. To reach this goal, the structure changes of bulk silicon particles and electrode after cycling were studied using ex-situ scanning electron microscopy （SEM） and X-ray diffraction （XRD） techniques. The SEM images indicated that the microstructural changes of the bulk silicon particles during cycling led to a layer rupture of the electrode and then the breakdown of the conductive network and the failure of the electrode. The result contributes to the basic understanding of the failure mechanism of a bulk sil- icon anode electrode for lithium-ion batteries.

关键词： Silicon Anode Lithium-ion battery Electrochemical properties

A scalable synthesis of silicon nanoparticles as high-performance anode material for lithium-ion batteries

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Rare Metals 2019年第3期38卷 199-205页

作者： Jin Li juan-yu yang Jian-Tao Wang Shi-Gang Lu China Automotive Battery Research Institute Co. Ltd.General Research Institute for Nonferrous Metals

In this work, a scalable and cost-effective method including mechanical milling, centrifugation and spray drying was developed to fabricate Si *** synthesized Si nanoparticles show an average size of 62 nm and exhibit a narrow particle size distribution. The influence of particle sizes on electrochemical performance of Si-based electrode was investigated, and it is found that as the particle size decreases in the studied range, the Si particles show a lower specific capacity and a higher irreversible capacity loss(ICL). Furthermore, an oxide layer with thickness of ～3 nm was detected on the surface of the as-received Si nanoparticles, and this layer can be effectively removed by hydrofluoric acid(HF) etching,resulting in much improved electrochemical performance over the as-received samples.

关键词： Lithium-ion batteries Anode Silicon nanoparticles Wet grinding mill

Electrolytic silicon/graphite composite from SiO_(2)/graphite porous electrode in molten salts as a negative electrode material for lithium-ion batteries

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Rare Metals 2022年第2期41卷 438-447页

作者： Ning Wang yu-yang Liu Zhi-Xia Shi Zhang-Long yu Hua-Ying Duan Sheng Fang juan-yu yang Xing-Ming Wang GRIREM Advanced Materials Co. Ltd.China Automotive Battery Research Institute Co.Ltd.General Research Institute for Nonferrous MetalsBeijing 100088China GRINM Resources and Environment Tech.Co.Ltd. General Research Institute for Nonferrous MetalsBeijing 100088China China Automotive Battery Research Institute Co.Ltd. General Research Institute for Nonferrous MetalsBeijing 100088China

Nano-silicon(nano-Si)and its composites have been regarded as the most promising negative electrode materials for producing the next-generation Li-ion batteries(LIBs),due to their ultrahigh theoretical ***,the commercial applications of nano Si-based negative electrode materials are constrained by the low cycling stability and high *** molten salt electrolysis of SiO_(2)is proven to be suitable to produce nano-Si with the advantages of in-situ microstructure control possibilities,cheap affordability and scale-up process ***,an economical approach for electrolysis,with a SiO_(2)/graphite porous electrode as cathode,is adopted to produce nano-Si/graphite composite negative electrode materials(SGNM)in this *** electrolytic product of the optimized porous electrode is taken as the negative electrode materials for LIBs,and it offers a capacity of 733.2 mAh·g^(-1)and an initial coulombic efficiency of 86.8%in a coin-type ***,the capacity of the SGNM retained 74.1%of the initial discharging capacity after 50 cycles at 0.2C,which is significantly higher than that of the simple mixture of silicon and graphite obtained from the formation of silicon carbide(SiC)between nano-Si and graphite ***,this new approach can be applied to a large-scale production.

关键词： Li-ion battery Negative electrode materials Molten salt electrolysis Nano-silicon

Self-healing alginate-carboxymethyl chitosan porous scaffold as an effective binder for silicon anodes in lithium-ion batteries

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Rare Metals 2019年第9期38卷 832-839页

作者： Zhao-Hui Wu juan-yu yang Bing yu Bi-Meng Shi Chun-Rong Zhao Zhang-Long yu Research and Development Center for Vehicle Battery and Energy Storage General Research Institute for Nonferrous Metals

Polymer binder plays a pivotal role in electrochemical performance of high-capacity silicon(Si)anode that usually suffers from severe capacity fading due to enormous substantial volume change of Si during *** an effort to find efficient polymer binder that could mitigate such capacity fading,alginate-carboxymethyl chitosan(Alg-C-chitosan)composite polymer was investigated as a low-cost watersoluble binder for silicon anodes in lithium-ion *** electrostatic interaction between carboxylate(-COO-)of Alg and protonated amines(-NH3+)of C-chitosan forms a selfhealing porous scaffold *** effect on the enhanced porous scaffold structure and self-healing electrostatic interaction of Alg-C-chitosan binder effectively can tolerate the tremendous volume change of Si and maintain an integrated electrode structure during cycling *** Si nanopowder electrodes with Alg-C-chitosan composite binder exhibit an excellent cycling stability,with a capacity of750 mAh·g-1 remaining after 100 th *** addition,an extraordinary areal capacity of 3.76 mAh·cm-2 is achieved for Si-based anodes with Alg-C-chitosan binder.

关键词： Binder Alginate Carboxymethyl chitosan Self-healing Scaffold Silicon anode

A comparison of core–shell Si/C and embedded structure Si/C composites as negative materials for lithium-ion batteries

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Rare Metals 2021年第9期40卷 2440-2446页

作者： Shuai-Jin Wu Zhao-Hui Wu Sheng Fang Xiao-Peng Qi Bing yu juan-yu yang Grinm Group Co. Ltd.Beijing 100088China General Research Institute for Nonferrous Metals Beijing 100088China China Automotive Battery Research Institute Co. Ltd.Beijing 101407China

Silicon materials have attracted wide attention as negative materials due to exceptional gravimetric capacity and abundance. The strategy of using nano-silicon materials as structural units to construct nano/micro-structured silicon-based negative materials for lithium-ion batteries has come into sight in recent years. In order to provide guidance for the material structure design of micro-sized silicon-based negative materials in practical application, in this work, two commercialized nano/micro-structured silicon-based negative materials with a specific capacity of about 650 mAh·g^(-1) were investigated and compared in the aspects of material microstructure, electrochemical performance of half cells, and electrode morphological evolution during cycling. The cycling performance(with capacity retention ratio of about 17% higher after 100 cycles) and electrode structure maintenance of the embedded structure Si/C material are superior to those of core–shell Si/C material. This research can provide guidance on design and application of nano/micro-structured silicon-based negative materials.

关键词： Lithium-ion battery Negative materials Silicon-based materials Material structure

Electrochemical preparation of silicon nanowires from porous Ni/SiO2 blocks in molten CaCl2

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Rare Metals 2019年第8期38卷 776-782页

作者： Sheng Fang Han Wang juan-yu yang Shi-Gang Lu Bing yu Jian-Tao Wang Chun-Rong Zhao R&D Center for Vehicle Battery and Energy Storage General Research Institute for Nonferrous Metals

Silicon nanowires(SiNWs)with diameter distributions ranging from 80 to 350 nm were prepared by electrochemical reduction of Ni/SiO2 in molten *** effect of the content of nickel additives on the morphology of produced silicon was *** quantities of SiNWs are obtained by the electrochemical reduction of Ni/SiO2 blocks with SiO2 to Ni molar ratio of 20 and *** additives repress the growth of irregular branches and promote longitudinal growth of *** morphologies and surfaces are influenced by the electrolysis *** become thicker with the increase of the electrolysis *** optimum temperature to prepare single crystal SiNWs with high aspect ratio and extraordinary surface quality seems to be 1173 *** amorphous layer of the silicon nanowire is thinner compared to the SiNWs obtained from the pure SiO2 *** produced SiNWs show a photoluminescence emission peak at about 758 nm at room *** work demonstrates the potentiality for the electrochemical reduction process to obtain large quantities of SiNWs with high quality.

关键词： Silicon nanowire Nickel additives SiO2 CaCl2 Electrochemical reduction

Synthesis and Crystal Structure of 4,4′-Diamino-N,N′-diethyl Bisbenzenesulfamide

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Chinese Journal of Structural Chemistry 2007年第2期26卷 177-183页

作者： WANG Li-Min PAN Xiao-juan FAN Zhao-yu yang Liu-Bo LIU Lian TIAN He Laboratory for Advanced Materials Institute of Fine ChemicalsEast China University of Science and Technology Shanghai 200237 China

A new compound of 4,4＇-diamino-N,V＇-diethyl bisbenzenesulfamide （C18H26N4O4S2, Fw = 426.55） has been synthesized and its structure was determined by X-ray crystallography method. The crystal belongs to the monoclinic system, space group P21/c with a = 10.0623（9）, b = 13.6759（13）, c =15.5309（14） A, β = 100.482（2）°, V= 2101.6（3） A^3, Dc = 1.348 g/cm^3, F（000） = 904, μ = 0.285 mm^-1, Z = 4, the final R = 0.0512 and wR = 0.1363 for 3485 observed reflections with I 〉 2σ（I）. The structure of the title compound is pseudo secondary axisymmetric, and the two sulfamide-groups show distorted tetrahedral configurations.

关键词： 4,4'-diamino-N,V'-diethyl bisbenzenesulfamide synthesis crystal structure

A novel Ce_(0.485)Zr_(0.485)Y_(0.03)O_(2) composite oxide with surface doping of Y and its application in Pd-only three-way catalyst

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Rare Metals 2024年第2期43卷 749-757页

作者： Zheng Zhao Wei-Xin Zhao Yong-Qi Zhang Mei-Sheng Cui Yong-Ke Hou Dong-Ming Chen juan-yu yang Zong-yu Feng Xiao-Wei Huang National Engineering Research Center for Rare Earth Grirem Advanced Materials Co.Ltd.GRINM Group Corporation LimitedBeijing100088China Griem Hi-Tech Co.Ltd. Langfang065000China Rare Earth Functional Materials(Xiong’an)Innovation Venter Co.Ltd. Baoding071700China

The ceria-zirconia compound oxide-supported noble metal Pd(Pd@CZ)is widely used in three-way ***,the surface structure of CZ plays an important role in catalytic activity of ***,how to regulate the surface structure of CZ and clarify the structure–activity relationship is still a *** this paper,a strategy is proposed to develop high activity Pd@CZ nanocatalysts by tuning Y doping sites in *** precipitate-deposition method is developed to prepare the novel Ce_(0.485)Zr_(0.485)Y_(0.03)O_(2) composite with surface doping of Y(CZ-Y-S).In addition,the Pd@CZ-Y-S(Pd supported on CZ-Y-S)exhibits superior catalytic activity for HC,CO,and NO oxide,wherein,for CO and C_(3)H_(6) oxidation,the low-temperature activity of Pd@CZ-Y-S is still 20%higher than that of Pd@CZ-Y-B(Y bulk doping)and commercial Pd@CZ after 1000℃/4 h *** effect mechanism is further studied by density functional theory(DFT)*** with Pd@CZ-Y-B,Pd@CZ-Y-S shows the lower CO oxide reaction energy barriers due to the weaker adsorption strength of *** Y surface doping strategy could provide valuable insights for the development of highly efficient Pd@CZ catalyst with extensive applications.

关键词： Rare earth Ceria-zirconia-supported Pd Surface doping Experiment and theory Catalytic application