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Synthesis of porous nano/micro structured LiFePO_4/C cathode materials for lithium-ion batteries by spray-drying method 被引量:2
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作者 管晓梅 李国军 +1 位作者 黎春阳 任瑞铭 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2017年第1期141-147,共7页
In order to enhance electrochemical properties of LiFePO4 (LFP) cathode materials, spherical porous nano/micro structured LFP/C cathode materials were synthesized by spray drying, followed by calcination. The result... In order to enhance electrochemical properties of LiFePO4 (LFP) cathode materials, spherical porous nano/micro structured LFP/C cathode materials were synthesized by spray drying, followed by calcination. The results show that the spherical precursors with the sizes of 0.5-5 μm can be completely converted to LFP/C when the calcination temperature is higher than 500 ℃. The LFP/C microspheres obtained at calcination temperature of 700 ℃ are composed of numerous particles with sizes of -20 nm, and have well-developed interconnected pore structure and large specific surface area of 28.77 mE/g. The specific discharge capacities of the LFP/C obtained at 700 ℃ are 162.43, 154.35 and 144.03 mA.h/g at 0.5C, 1C and 2C, respectively. Meanwhile, the capacity retentions can reach up to 100% after 50 cycles. The improved electrochemical properties of the materials are ascribed to a small Li+ diffusion resistance and special structure of LFP/C microspheres. 展开更多
关键词 LiFePO4/c cathode nano/micro structure porous material spray drying electrochemical properties
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Synthesis and electrochemical performances of spherical LiFePO_4 cathode materials for Li-ion batteries 被引量:6
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作者 ZHOU Jianxin SHEN Xiangqian JING Maoxiang ZHAN Yun 《Rare Metals》 SCIE EI CAS CSCD 2006年第z1期19-24,共6页
Spherical LiFePO4 and LiFePO4/C composite powders for lithium ion batteries were synthesized by a novel processing route of co-precipitation and subsequent calcinations in a nitrogen and hydrogen atmosphere. The precu... Spherical LiFePO4 and LiFePO4/C composite powders for lithium ion batteries were synthesized by a novel processing route of co-precipitation and subsequent calcinations in a nitrogen and hydrogen atmosphere. The precursors of LiFePO4, LiFePO4/C composite and the resultant products were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), and the electrochemical performances were investigated by galvanostatic charge and discharge tests. The precursors composed of amorphous Fe3(PO4)2·xH2O and crystalline Li3PO4 obtained in the co-precipitation processing have a sphere-like morphology. The spherical LiFePO4 derived from the calcinations of the precursor at 700 ℃ for 10 h in a reduction atmosphere shows a discharge capacity of 119 mAh·g-1 at the C/10 rate, while the LiFePO4/C composite with 10wt.% carbon addition exhibits a discharge capacity of 140 mAh·g-1. The electrochemical performances indicate that the LiFePO4/C composite has a higher specific capacity and a more stable cycling performance than the bare olivine LiFePO4 due to the carbon addition enhancing the electronic conductivity. 展开更多
关键词 spherical LiFePO4 LiFePO4/c composite cO-PREcIPITATION cathode material Li-ion battery
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Synthesis and electrochemical properties of Li_(1-x)V_xCr_yFe_(1-x)PO_4/C as a cathode material 被引量:1
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作者 Shi Tao Song Pei Hua Ma +2 位作者 Shi You Li Xiao Chuan Deng Chun Yan Yan 《Chinese Chemical Letters》 SCIE CAS CSCD 2008年第3期337-341,共5页
Composites Li1-xVxCryFe1-yPO4/C(x=0.01, 0.02; y = 0.01, 0.02) were synthesized by solid-state reaction method. The influence of the content of doping vanadium and chromium on the structure of Li1-xVxCryFe1-yPO4/C wa... Composites Li1-xVxCryFe1-yPO4/C(x=0.01, 0.02; y = 0.01, 0.02) were synthesized by solid-state reaction method. The influence of the content of doping vanadium and chromium on the structure of Li1-xVxCryFe1-yPO4/C was investigated by XRD, while the morphology of powders was observed by SEM. The investigation of the electrochemical performances showed that the Li0.99V0.01Cr0.02Fe0.98PO4/C material has a higher capacity. At 0.1 C discharging rate, it is capable of delivering reversible specific capacity of 163.8 mAh/g with fairly stable cycleability. 展开更多
关键词 Li1-xVxcryFe1-yPO4/c cathode material Ion doping
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Hydrothermal synthesis of spindle-like Li_2FeSiO_4-C composite as cathode materials for lithium-ion batteries 被引量:4
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作者 Haiyan Gao Zhe Hu +3 位作者 Kai Zhang Fangyi Cheng Zhanliang Tao Jun Chen 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2014年第3期274-281,共8页
In this paper,we report on the preparation of Li2FeSiO4,sintered Li2FeSiO4,and Li2FeSiO4-C composite with spindle-like morphologies and their application as cathode materials of lithium-ion batteries.Spindle-like Li2F... In this paper,we report on the preparation of Li2FeSiO4,sintered Li2FeSiO4,and Li2FeSiO4-C composite with spindle-like morphologies and their application as cathode materials of lithium-ion batteries.Spindle-like Li2FeSi04 was synthesized by a facile hydrothermal method with(NH4)2Fe(SO4)2 as the iron source.The spindle-like Li2FeSiO4 was sintered at 600 ℃ for 6 h in Ar atmosphere.Li2FeSiO4-C composite was obtained by the hydrothermal treatment of spindle-like Li2FeSiO4 in glucose solution at 190 ℃ for 3 h.Electrochemical measurements show that after carbon coating,the electrode performances such as discharge capacity and high-rate capability are greatly enhanced.In particular.Li2FeSiO4-C with carbon content of 7.21 wt%delivers the discharge capacities of 160.9 mAh·g-1 at room temperature and 213 mAh·g-1 at45℃(0.1 C),revealing the potential application in lithium-ion batteries. 展开更多
关键词 Li2FesiO4-c composite spindle like hydrothermal synthesis cathode material lithium-ion battery
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Synthesis and electrochemical properties of spherically shaped LiVPO_(4)F/C cathode material by a spray drying-roasting method 被引量:1
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作者 Yu-Lei Sui Ling Wu +4 位作者 Wei Hong Jie-Qun Liu Xiao-Ping Zhang Wei Li Sheng-Kui Zhong 《Rare Metals》 SCIE EI CAS CSCD 2021年第1期72-77,共6页
LiVPO_(4) F has attracted increasing research interest in the field of Li-ion batteries due to its high working voltage platform and high theoretical energy density.However,the construction of stable LiVPO_(4) F catho... LiVPO_(4) F has attracted increasing research interest in the field of Li-ion batteries due to its high working voltage platform and high theoretical energy density.However,the construction of stable LiVPO_(4) F cathode material with excellent electrochemical properties is still a major challenge.Herein,we successfully synthesized spherically shaped LiVPO_(4) F/C via a spray dryingroasting method.X-ray diffraction(XRD)and scanning electron microscopy(SEM)results indicate that the well crystallized LiVPO_(4) F/C with triclinic structure shows spherical morphology with an average diameter of 1-3μm.The spherically shaped LiVPO_(4) F/C delivers a discharge capacity of 137.9 mAh·g^(-1) at 0.1 C rate in the range of3.0-4.5 V and remains 91.4%capacity retention of its initial discharge capacity after 50 cycles.These results reveal that spray drying-roasting method is a promising approach to synthesize spherically shaped LiVPO_(4) F/C cathode material with stable crystal structure and excellent performance. 展开更多
关键词 Lithium-ion batteries cathode materials LiVPO_(4)F/c spray drying-roasting Electrical properties
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Effect of baking processes on properties of TiB_2/C composite cathode material 被引量:1
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作者 吕晓军 李劼 +1 位作者 赖延清 方钊 《Journal of Central South University》 SCIE EI CAS 2009年第3期429-433,共5页
Pitch and TiB2/C green composite cathode material were respectively analyzed with simultaneous DSC-TGA, and effects of three baking processes of TiB2/C composite cathode material, i.e. K25, K5 and M5, on properties of... Pitch and TiB2/C green composite cathode material were respectively analyzed with simultaneous DSC-TGA, and effects of three baking processes of TiB2/C composite cathode material, i.e. K25, K5 and M5, on properties of TiB2/C composite cathode material were investigated. The results show that thermogravimetrie behavior of pitch and TiB2/C green composite cathode is similar, and appears the largest mass loss rate in the temperature range from 200 to 600 ℃. The bulk density variation of sample K5 before and after baking is the largest (11.9%), that of sample K25 is the second, and that of sample M5 is the smallest (6.7%). The crushing strength of sample M5 is the biggest (51.2 MPa), that of sample K2.5 is the next, and that of sample K5 is the smallest (32.8 MPa). But, the orders of the electrical resistivity and electrolysis expansion of samples are just opposite with the order of crushing strength. The heating rate has a great impact on the microstructure of sample. The faster the heating rate is, the bigger the pore size and porosity of sample are. Compared with the heating rate between 200 and 600℃ of samples K25 and K5, that of sample M5 is slower and suitable for baking process of TiB2/C composite cathode material. 展开更多
关键词 aluminum electrolysis TiB2/c composite cathode material baking process
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CoSnO_(3)/C nanocubes with oxygen vacancy as high-capacity cathode materials for rechargeable aluminum batteries
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作者 Shuainan Guo Mingquan Liu +3 位作者 Haoyi Yang Xin Feng Ying Bai Chuan Wu 《Green Energy & Environment》 SCIE EI CAS CSCD 2023年第3期883-892,共10页
Rechargeable aluminum batteries(RABs)are attractive cadidates for next-generation energy storage and conversion,due to the low cost and high safety of Al resources,and high capacity of metal Al based on the three-elec... Rechargeable aluminum batteries(RABs)are attractive cadidates for next-generation energy storage and conversion,due to the low cost and high safety of Al resources,and high capacity of metal Al based on the three-electrons reaction mechanism.However,the development of RABs is greatly limited,because of the lack of advanced cathode materials,and their complicated and unclear reaction mechanisms.Exploring the novel nanostructured transition metal and carbon composites is an effective route for obtaining ideal cathode materials.In this work,we synthesize porous CoSnO_(3)/C nanocubes with oxygen vacancies for utilizing as cathodes in RABs for the first time.The intrinsic structure stability of the mixed metal cations and carbon coating can improve the cycling performance of cathodes by regulating the internal strains of the electrodes during volume expansion.The nanocubes with porous structures contribute to fast mass transportation which improves the rate capability.In addition to this,abundant oxygen vacancies promote the adsorption affinity of cathodes,which improves storage capacity.As a result,the CoSnO_(3)/C cathodes display an excellent reversible capacity of 292.1 mAh g^(-1) at 0.1 A g^(-1),a good rate performance with 109 mAh g^(-1) that is maintained even at 1 A g^(-1) and the provided stable cycling behavior for 500 cycles.Besides,a mechanism of intercalation of Al^(3+)within CoSnO_(3)/C cathode is proposed for the electrochemical process.Overall,this work provides a step toward the development of advanced cathode materials for RABs by engineering novel nanostructured mixed transition-metal oxides with carbon composite and proposes novel insights into chemistry for RABs. 展开更多
关键词 Rechargeable aluminum batteries Mixed transition-metal oxides cosnO_(3)/c cathode material Oxygen vacancy
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Synthesis and electrochemical performance of Li_2Mg_(0.15)Mn_(0.4)Co_(0.45)SiO_4/C cathode material for lithium ion batteries
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作者 胡传跃 郭军 +2 位作者 李四军 彭秧锡 文瑾 《Journal of Central South University》 SCIE EI CAS 2012年第7期1791-1795,共5页
The synthesis, structure and performance of Li2Mg0.15Mn0.4Co0.45SiO4/C cathode material were studied. The Li2Mg0.15Mn0.4Co0.45SiO4/C solid solution with orthorhombic unit cell (space group Pmn21) was synthesized suc... The synthesis, structure and performance of Li2Mg0.15Mn0.4Co0.45SiO4/C cathode material were studied. The Li2Mg0.15Mn0.4Co0.45SiO4/C solid solution with orthorhombic unit cell (space group Pmn21) was synthesized successfully by combination of wet process and solid-state reaction at high temperature, and its electrochemical performance was investigated primarily. Li2Mg0.15Mn0.4Co0.45SiO4/C composite materials deliver a charge capacity of 302 mA-h/g and a discharge capacity of 171 mA.h/g in the first cycle. The discharge capacity is stabilized at about 100 mA-h/g after 10 cycles at a current density of 10 mA/g in the voltage of 1.5-4.8 V vs Li/Li^+. The results show that Mg-substitution for the Co ions in Li2Mn0.4Co0.6SiO4 improves the stabilization of initial structure and the electrochemical nerformance. 展开更多
关键词 lithium ion battery Li2Mg0.15Mn0.4co0.45si04/c cathode material sYNTHEsIs
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Synthesis of LiMnPO_4/C composite material for lithium ion batteries by sol-gel method 被引量:2
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作者 钟胜奎 王友 +1 位作者 刘洁群 王健 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2012年第10期2535-2540,共6页
The LiMnPO4/C composite material was synthesized via a sol-gel method based on the citric acid. The X-ray diffraction (XRD), scanning electron microscopy (SEM) and electrochemical performance tests were adopted to... The LiMnPO4/C composite material was synthesized via a sol-gel method based on the citric acid. The X-ray diffraction (XRD), scanning electron microscopy (SEM) and electrochemical performance tests were adopted to characterize the properties of LiMnPO4/C. The XRD studies show that the pure olivine phase LiMnPO4 can be obtained at a low temperature of 500 °C. The SEM analyses illustrate that the citric acid used as the chelating reagent and carbon source can restrain the particle size of LiMnPO4/C well. The LiMnPO4/C sample synthesized at 500 °C for 10 h performs the highest initial discharge capacity of 122.6 mA-h/g, retaining 112.4 mA-h/g over 30 cycles at 0.05C rate. The citric acid based sol-gel method is favor to obtain the high electrochemical performance of LiMnPO4/C. 展开更多
关键词 lithium-ion battery cathode material sol-gel method LiMnPO4/c electrochemical performance
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Synthesis of nanostructured Li_2FeSiO_4/C cathode for lithium-ion battery by solution method 被引量:1
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作者 杨蓉 刘晓艳 +2 位作者 曲冶 雷京 Jou-Hyeon AHN 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2012年第10期2529-2534,共6页
Nanosphere-like Li2FeSiO4/C was synthesized via a solution method using sucrose as carbon sources under a mild condition of time-saving and energy-saving, followed by sintering at high temperatures for crystallization... Nanosphere-like Li2FeSiO4/C was synthesized via a solution method using sucrose as carbon sources under a mild condition of time-saving and energy-saving, followed by sintering at high temperatures for crystallization. The amount of carbon in the composite is less than 10% (mass fraction), and the X-ray diffraction result confirms that the sample is of pure single phase indexed with the orthorhombic Pmn21 space group. The particle size of the Li2FeSiO4/C synthesized at 700 °C for 9 h is very fine and spherical-like with a size of 200 nm. The electrochemical performance of this material, including reversible capacity, cycle number, and charge-discharge characteristics, were tested. The cell of this sample can deliver a discharge capacity of 166 mA-h/g at C/20 rate in the first three cycles. After 30 cycles, the capacity decreases to 158 mA-h/g, and the capacity retention is up to 95%. The results show that this method can prepare nanosphere-like Li2FeSiO4/C composite with good electrochemical performance. 展开更多
关键词 lithium-ion batteries cathode material Li2FesiO4/c solution method
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辽宁排山楼金矿床成矿物质来源和矿床成因:来自T4矿体C-O-S-Pb同位素地球化学的约束
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作者 刘春发 刘彦兵 +1 位作者 刘必政 徐立为 《地质科技通报》 北大核心 2025年第2期146-160,共15页
排山楼金矿床是华北克拉通北缘一处大型金矿床,矿床赋存于太古宇建平群中,受EW向和NE向2组韧性剪切带控制,与燕山期花岗岩类关系密切,长久以来关于其矿床成因类型存在较大争议。本研究以近年新揭露的T4矿体为研究对象,系统开展矿床地质... 排山楼金矿床是华北克拉通北缘一处大型金矿床,矿床赋存于太古宇建平群中,受EW向和NE向2组韧性剪切带控制,与燕山期花岗岩类关系密切,长久以来关于其矿床成因类型存在较大争议。本研究以近年新揭露的T4矿体为研究对象,系统开展矿床地质和C、O、S、Pb同位素研究,厘定成矿流体和物质来源,探讨其矿床成因。结果表明:矿石热液碳酸盐矿物δ^(13)C_(V-PDB)值为-7.0‰~-2.1‰,δ^(18)O_(V-SMOW)值为12.2‰~16.7‰。相较于高于庄组白云质大理岩,热液碳酸盐矿物C同位素组成基本一致,但O同位素组成明显亏损,暗示成矿流体中的C来源于高于庄组白云质大理岩的溶解。矿石黄铁矿δ^(34)S_(V-CDT)值介于0.5‰~7.5‰之间,其双峰值(2.9‰和6.7‰)与建平群变质岩和燕山期花岗岩类δ^(34)S_(V-CDT)值一致,表明S主要来源于建平群变质岩和燕山期岩浆硫的混合。矿石黄铁矿^(206)Pb/^(204)Pb、^(207)Pb/^(204)Pb、^(208)Pb/^(204)Pb值分别为16.585~18.432,15.299~15.698,37.159~38.982。在Pb演化图解中主要投点于地幔和下地壳区域,表明排山楼金矿床铅以壳幔混合为主,金属来源于建平群变质岩和燕山期花岗岩类。结合晚中生代区域构造-岩浆演化背景,认为在晚白垩世华北克拉通北缘区域伸展、岩石圈快速减薄的背景下,排山楼地区韧性剪切作用导致前寒武纪岩石发生动力变质作用形成含矿变质热液,运移过程中有岩浆热液、大气降水及围岩成矿物质参与,最终在构造有利部位发生水岩反应导致成矿物质迅速沉淀,排山楼金矿床成因类型为造山型金矿。 展开更多
关键词 排山楼金矿 c-O-s-Pb同位素 成矿物质来源 矿床成因 华北克拉通北缘 地球化学
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Triple modification engineering to enhance structural stability and ionic-electronic transport kinetics of lithium-rich manganese-based cathode materials
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作者 Xingpeng Cai Shiyou Li +3 位作者 Ningshuang Zhang Jiawen Zhang Jingxuan Yan Xiaoling Cui 《Nano Research》 2025年第12期351-361,共11页
The development of strategies to inhibit structural degradation and surface side reactions is the key to promoting the large-scale application of lithiumrich manganese-based cathode materials Li_(1.2)Mn_(0.54)Ni_(0.13... The development of strategies to inhibit structural degradation and surface side reactions is the key to promoting the large-scale application of lithiumrich manganese-based cathode materials Li_(1.2)Mn_(0.54)Ni_(0.13)Co_(0.13)O_(2)(LMNCO).Herein,LMNCO was triply modified from the inside to the outside,by bulk doping of Mo6+,fabricating oxygen vacancies(OVs)defects,and surface coating of S,N-doped carbon nanolayers(SNCN).The integration of Mo6+doping and OVs defects widens and stabilizes the Li+diffusion channel,and the surface coating of SNCN provides additional electrons for LMNCO in the conduction band region,achieving a simultaneous improvement in both ionic and electronic conductivity.Meanwhile,Mo^(6+)doping and OVs mitigate the irreversible phase transitions caused by oxygen loss and transition metal(TM)out-of-plane migration,while SNCN inhibits the corrosion of the electrolyte on the material surface and enhances the stability of the surface structure.Benefiting from the synergistic effect of these modifications,the structural evolution of the modified material is highly reversible,and the layered structure remains intact during repeated lithiation/delithiation processes,while the mechanical properties of material are also improved,effectively suppressing crack generation and TM dissolution.As a result,at room temperature(25℃),the modified cathode demonstrates a high capacity retention of 94.6%after 200 cycles at 1 C,and a high rate capacity of 161.0 mAh·g^(-1) at 5 C.Especially,under harsh conditions,the capacity retention is 76.3%after 150 cycles at 55℃ and 1 C.This work provides a new solution for developing advanced LMNCO cathode materials. 展开更多
关键词 cathode materials lithium-rich manganese-based layered oxides oxygen vacancies Mo^(6%PLUs%)doping s Ndoped carbon nanolayers
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锂离子电池正极材料Li_2FeSiO_4/C的微波合成 被引量:15
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作者 彭忠东 曹雁冰 +2 位作者 胡国荣 杜柯 蒋庆来 《中国有色金属学报》 EI CAS CSCD 北大核心 2009年第8期1449-1454,共6页
采用高能球磨结合微波合成工艺,以Li2CO3、FeC2O4.2H2O、纳米SiO2和葡萄糖为原料合成锂离子电池正极材料Li2FeSiO4/C。利用X射线衍射(XRD)、扫描电镜(SEM)和恒电流充放电测试等方法对该材料的结构、表观形貌及电化学性能进行表征。考察... 采用高能球磨结合微波合成工艺,以Li2CO3、FeC2O4.2H2O、纳米SiO2和葡萄糖为原料合成锂离子电池正极材料Li2FeSiO4/C。利用X射线衍射(XRD)、扫描电镜(SEM)和恒电流充放电测试等方法对该材料的结构、表观形貌及电化学性能进行表征。考察超导电碳黑的添加、微波处理时间以及微波加热温度等对Li2FeSiO4/C材料合成及其性能的影响。结果表明:以超导电碳黑为微波耦合剂,采用微波合成法在650℃下处理10 min可快速制备具有正交结构的Li2FeSiO4/C材料;获得的Li2FeSiO4/C材料颗粒细小均匀,具有较好的电化学性能;在60℃下以C/20对Li2FeSiO4/C材料进行充放电时,其首次放电容量为121.7 mA.h/g,10次循环后其放电容量仍保持为119.2 mA.h/g。 展开更多
关键词 Li2FesiO4/c 锂离子电池 正极材料 微波合成
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湘南铜山岭铜多金属矿床成矿物质来源的S、Pb、C同位素约束 被引量:30
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作者 蔡应雄 谭娟娟 +5 位作者 杨红梅 卢山松 段瑞春 邱啸飞 程顺波 杨小莉 《地质学报》 EI CAS CSCD 北大核心 2015年第10期1792-1803,共12页
铜山岭铜多金属矿床是湘南W、Sn、Pb、Zn、Cu多金属矿集区的代表性矿床,本文对其不同类型岩石和矿石矿物进行了S、Pb、C同位素组成对比研究。矿石硫化物的δ34 S值变化范围为-1.9‰~5.7‰,平均值为2.6‰,硫主要来源于硫同位素组成均一... 铜山岭铜多金属矿床是湘南W、Sn、Pb、Zn、Cu多金属矿集区的代表性矿床,本文对其不同类型岩石和矿石矿物进行了S、Pb、C同位素组成对比研究。矿石硫化物的δ34 S值变化范围为-1.9‰~5.7‰,平均值为2.6‰,硫主要来源于硫同位素组成均一化的岩浆。硫化物硫同位素平衡温度表明,矿床主要成矿温度为134~339℃。矿石铅的206 Pb/204 Pb、207 Pb/204 Pb、208 Pb/204 Pb比值分别为18.256~18.856、15.726~15.877、38.352~39.430;岩体岩石铅的206Pb/204Pb、207Pb/204Pb、208Pb/204Pb比值分别为18.617~18.805、15.721~15.786、38.923~39.073;两者铅同位素组成相同,都主要为上地壳铅,是由同一岩浆体系分异形成,可能来源于古老基底岩石。不同类型岩石、方解石矿物的δ13 CPDB值为-9.88‰~1.32‰,δ18 OSMOW值为11.67‰~17.68‰,从矽卡岩矿体到距岩体稍远的围岩地层,方解石矿物的δ13 CPDB、δ18 OSMOW值逐渐增大,成矿流体中的碳早期可能主要来源于岩浆,在成矿过程中有部分碳酸盐岩地层碳的加入。铜山岭矿床成矿物质主要来源于岩浆,赋矿地层对矿床成矿物质来源作用不显著,仅提供了少量成矿物质。 展开更多
关键词 硫同位素 铅同位素 碳同位素 铜山岭 成矿物质来源 岩浆
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地聚合物凝胶体系中N-A-S-H和C-A-S-H结构的分子模拟 被引量:26
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作者 王晴 康升荣 +2 位作者 吴丽梅 唐宁 张强 《建筑材料学报》 EI CAS CSCD 北大核心 2020年第1期184-191,共8页
钙元素对地聚合物凝胶结构的形成影响显著,根据含钙量的不同可分为高钙体系(C-A-S-H)和无钙体系(N-A-S-H).基于Materials Studio软件,用Amorphous Cell(AC)模块构建了N-A-S-H和C-A-S-H凝胶结构模型.在Universal力场下,对2个凝胶结构模... 钙元素对地聚合物凝胶结构的形成影响显著,根据含钙量的不同可分为高钙体系(C-A-S-H)和无钙体系(N-A-S-H).基于Materials Studio软件,用Amorphous Cell(AC)模块构建了N-A-S-H和C-A-S-H凝胶结构模型.在Universal力场下,对2个凝胶结构模型的稳定性、动力学轨迹、微观表征及弹性模量进行了分子动力学模拟.结果表明,构建的N-A-S-H和C-A-S-H凝胶结构模拟值与试验值吻合较好.由于钙元素的存在,无定形态体系出现了向晶体转变的特征,并对地聚合物的力学性能产生正向增益. 展开更多
关键词 N-A-s-H凝胶 c-A-s-H凝胶 分子动力学模拟 materials studio软件
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S-Co复合掺杂LiMn_2O_4的合成与性能 被引量:4
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作者 夏君磊 赵世玺 +1 位作者 刘韩星 欧阳世翕 《无机材料学报》 SCIE EI CAS CSCD 北大核心 2003年第4期942-946,共5页
为了扩大锂离子电池正极材料Li_xMn_2O_4的工作电压范围,在保证良好循环性能的基础上提高材料的容量,本文对S-Co复合掺杂LiMn_2O_4的合成工艺和电化学性能进行了研究。溶胶-凝胶法合成的各试样均为纯的立方尖晶石相,且结晶状态良好。S-C... 为了扩大锂离子电池正极材料Li_xMn_2O_4的工作电压范围,在保证良好循环性能的基础上提高材料的容量,本文对S-Co复合掺杂LiMn_2O_4的合成工艺和电化学性能进行了研究。溶胶-凝胶法合成的各试样均为纯的立方尖晶石相,且结晶状态良好。S-Co复合掺杂综合了S掺杂效应和Co掺杂效应,改善了LiMn_2O_4的电化学性能,在2.4~4.3V充放电压范围内,初始容量较高,达到170mAh/g,30次循环后容量不但没有衰减而且有一定增加。 展开更多
关键词 锂离子电池 正极材料 LIMN2O4 s-co复合掺杂
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S-M(M=Al,Co)复合掺杂LiMn_2O_4的结构稳定性 被引量:12
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作者 赵世玺 闵新民 +2 位作者 刘韩星 李强 欧阳世翕 《物理化学学报》 SCIE CAS CSCD 北大核心 2004年第3期233-236,F003,共5页
应用量子化学电荷自洽离散变分Xα(SCC-DV-Xα)方法,研究了S-Al、S-Co复合掺杂增强尖晶石结构锂锰氧化物稳定性的作用机制.计算结果表明,S-Al复合掺杂锂锰尖晶石和S-Co复合掺杂锂锰尖晶石中的共价键强度均比未掺杂尖晶石LiMn2O4中的强,... 应用量子化学电荷自洽离散变分Xα(SCC-DV-Xα)方法,研究了S-Al、S-Co复合掺杂增强尖晶石结构锂锰氧化物稳定性的作用机制.计算结果表明,S-Al复合掺杂锂锰尖晶石和S-Co复合掺杂锂锰尖晶石中的共价键强度均比未掺杂尖晶石LiMn2O4中的强,且与MnO2中的共价键强度相近;S-Al,S-Co复合掺杂尖晶石中Mn的电荷也与MnO2模型Mn6O2628-中十分接近.Mn原子的电荷密度次序是MnO2≈掺硫铝后锰锂尖晶石≈掺硫钴后的锂锰尖晶石<锰锂尖晶石.即LixMn3Co3O20S6n-和LixMn3Al3O20S6n-中Mn的状态与MnO2中的Mn相似.上述结果揭示了S和非Jahn-Teller效应阳离子(Al3+,Co3+)复合掺杂尖晶石结构锂锰氧化物在电化学过程中不会发生Jahn-Teller畸变的内在原因. 展开更多
关键词 锂离子电池 正极材料 锰酸锂 尖晶石结构 硫-铝复合掺杂 硫-钴复合掺杂 结构稳定性 电荷自洽离散变分Xα(scc—DV—Xα)方法
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新疆伊宁县塔北铅锌矿床地质特征和S、Pb、C、O同位素组成 被引量:6
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作者 彭义伟 顾雪祥 +3 位作者 王新利 章永梅 刘溪溪 于晓亮 《现代地质》 CAS CSCD 北大核心 2014年第4期674-685,共12页
塔北铅锌矿床是西天山吐拉苏盆地中新近勘查成功的一个重要热液型铅锌矿床。矿体赋存于晚泥盆世-早石炭世大哈拉军山组第五岩性段酸性凝灰岩中,受断裂构造控制。矿石硫化物的δ34 S值介于0.5‰~7.3‰,估算获得成矿流体的总硫同位素值... 塔北铅锌矿床是西天山吐拉苏盆地中新近勘查成功的一个重要热液型铅锌矿床。矿体赋存于晚泥盆世-早石炭世大哈拉军山组第五岩性段酸性凝灰岩中,受断裂构造控制。矿石硫化物的δ34 S值介于0.5‰~7.3‰,估算获得成矿流体的总硫同位素值δ34 S∑S约2.7‰,具岩浆硫的特征。晚期石膏的δ34 S值为4.7‰~5.3‰,表明石膏可能是火山热液中的SO2发生歧化反应或火山喷发带出的H2 S挥发分在近地表的氧化环境中反应生成的。矿石铅同位素组成十分稳定,并与大哈拉军山组火山岩的铅同位素组成相似,指示成矿物质来源于赋矿火山岩。碳、氧同位素组成指示成矿流体中碳主要来源于深部岩浆。塔北铅锌矿床可能属于矿化较深的浅成低温热液型矿床。 展开更多
关键词 s PB c O同位素 成矿物质来源 浅成低温热液型矿床 塔北铅锌矿床 新疆
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S掺杂促进Fe/N/C催化剂氧还原活性的实验与理论研究 被引量:4
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作者 陈驰 张雪 +2 位作者 周志有 张新胜 孙世刚 《物理化学学报》 SCIE CAS CSCD 北大核心 2017年第9期1875-1883,共9页
向Fe/N/C非贵金属催化剂中再引入S掺杂是进一步提高其氧还原催化活性的有效方法。为了探究活性提高的原因,本文以三聚氰胺-甲醛树脂为前驱体,氯化钙为模板,氯化铁为铁源,通过添加硫氰化钾(KSCN)来控制热解催化剂的S掺杂量。通过对比分... 向Fe/N/C非贵金属催化剂中再引入S掺杂是进一步提高其氧还原催化活性的有效方法。为了探究活性提高的原因,本文以三聚氰胺-甲醛树脂为前驱体,氯化钙为模板,氯化铁为铁源,通过添加硫氰化钾(KSCN)来控制热解催化剂的S掺杂量。通过对比分析催化剂的物化性质,结合密度泛函理论(DFT)计算,分析S掺杂促进Fe/N/C催化剂氧还原活性的原因。透射电子显微镜(TEM)和N_2吸脱附等温线测试结果表明,S元素可抑制含铁纳米粒子的形成,促使形成多孔碳结构,提高比表面积。X射线光电子能谱(XPS)结果表明,适量S前驱体可实现较高的S掺杂含量,得到最优的活性,过量的S反而会导致Fe和S的掺杂量同时降低,影响活性。DFT计算结果表明在Fe-N_4大环中引入S掺杂,可增强O_2分子和中间体OOH与Fe-N_4结构中的Fe的相互作用,促进形成Fe―O键,从而导致O―O键的键能显著降低,为后续反应O―O键的断裂提供可能,促进ORR反应的进行。 展开更多
关键词 氧还原反应 非贵金属催化剂 Fe/N/c材料 s掺杂 密度泛函理论
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不同碳源对碳热还原法合成Li_2FeSiO_4/C电化学性能的影响 被引量:2
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作者 张峥 刘兴泉 +2 位作者 马慎思 寇丹 陈凯 《电子元件与材料》 CAS CSCD 北大核心 2013年第3期62-66,共5页
以Li2CO3为锂源、Fe2O3为铁源、Si(OCH2CH3)4为硅源、羟乙基纤维素和蔗糖分别为碳源,采用碳热还原法制备了Li2FeSiO4/C锂离子电池复合正极材料,考察了羟乙基纤维素和蔗糖分别作为碳源对合成的Li2FeSiO4/C电化学性能的影响。结果表明:当... 以Li2CO3为锂源、Fe2O3为铁源、Si(OCH2CH3)4为硅源、羟乙基纤维素和蔗糖分别为碳源,采用碳热还原法制备了Li2FeSiO4/C锂离子电池复合正极材料,考察了羟乙基纤维素和蔗糖分别作为碳源对合成的Li2FeSiO4/C电化学性能的影响。结果表明:当烧结温度为600℃、烧结时间为10 h时,由羟乙基纤维素作为碳源制备的Li2FeSiO4/C样品在1.5~4.7 V、0.2C和20℃时的首次放电比容量为113.6 mAh/g,20次循环后放电比容量仍保持在102.3 mAh/g。较之蔗糖碳源样品,颗粒更小、分布更均匀,其电荷转移阻抗减小了80%、锂离子扩散系数增加了20%。 展开更多
关键词 锂离子电池 LI2FEsIO4 c 正极材料 碳热还原法 碳源 放电比容量 交流阻抗谱
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