共查询到19条相似文献,搜索用时 171 毫秒
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二氧化锡由于其低电位和高储钠理论容量以及绿色无毒的优点被认为是最有前途钠离子电池负极材料之一。但其导电性不好,且在嵌/脱钠的过程中会发生体积膨胀,从而导致电池的容量和循环稳定性等电化学性能下降。碳具有良好的导电性,同时能减缓材料在脱/嵌钠过程的体积膨胀,本文采用一步合成制备SnO2/C复合纳米材料,并将其作为钠离子电池的负极材料进行研究。结果发现碳包覆花瓣状SnO2复合材料相比于纯的SnO2具有良好的储钠性能 相似文献
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随着对能源存储设备输出和安全性能等方面需求的不断提升,全固态电池展示了替代传统液态锂离子电池占据新能源市场的潜力.石榴石型Li7La3Zr2O12固体电解质具有高离子导率且对于锂金属稳定,是最受人瞩目的固体电解质材料之一.但是,固-固界面不良接触导致的巨大界面电阻以及由于锂的不均匀沉积和分解导致的锂枝晶生长等问题严重阻碍了全固态电池的发展.本综述针对石榴石型全固态电池突出的界面问题,详细论述了Li7La3Zr2O12表面碳酸锂问题的研究现状;讨论了锂金属负极和固态电解质的界面浸润性以及锂枝晶生长问题,给出了构建理想界面的关键因素;阐述了优化正极与石榴石型固体电解质界面的具体方法以及改善界面润湿性的思路.本文还展望了未来石榴石型全固态锂离子电池可能的发展方向,为全固态锂离子电池的发展和应用提供了借鉴. 相似文献
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该文以2种不同立构聚丙烯(iPP和sPP)为讨论对象,首先研究了量化计算方法在预测高分子13C 各向同性和各向异性化学位移(CSA)中的应用,然后讨论了近年来发展的测定13C CSA粉末线形的2种重要固体NMR实验技术(SUPER和RAI)的特点和实验优化问题. 最后,利用可获得接近无扭曲线形的SUPER技术测定了等规立构聚丙烯样品的13C CSA粉末线形,并与量化计算理论结果比较. 结果表明:13C 各向同性化学位移及CSA粉末线形的理论计算结果均与固体NMR实验结果有很好的符合,预示通过13C CSA量化计算结合固体NMR实验是阐明高分子微观结构的有力工具. 相似文献
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有机硅化合物是电解质材料研究的热点之一,其物理化学特性是衡量电池性能的重要参数.本文采用多种核磁共振(NMR)技术(包括1H NMR、13C NMR、DOSY、7Li NMR、19F NMR)对有机硅化合物CN(CH2)2SiCH3(OCH2CH2OCH3)2(BNS)的结构,电解液(LiPF6/BNS)的溶剂化效应、扩散系数和热稳定性四个方面进行了分析评价,发现BNS和LiPF6之间具有溶剂化效应;BNS的氰基(CN)和醚键(-O-)基团可与Li+形成络合物,且氰基配位能力优于醚键,络合键的形成促进了LiPF6的离解和扩散,同时也提高了LiPF6/BNS的热稳定性,证明高温下LiPF6的分解是电解液失败的主要原因.该研究为开发新型电解质化合物及促进其性能提升提供了理论依据. 相似文献
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InSb材料在近来的锂离子电池负极材料研究中受到了重视.使用基于局域密度泛函理论的第一原理赝势法,计算了锂离子电池非碳类负极材料InSb各种锂嵌入情况时的形成能以及相应的电子结构.讨论了锂嵌入时的体积变化、能带结构、电子态密度以及电荷分布等性质.计算发现,闪锌矿结构的InSb材料,锂嵌入到主体材料的间隙位置时的形成能平均每个锂原子都在2.2eV左右.
关键词:
InSb
锂嵌入形成能
电子结构
第一原理计算 相似文献
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骨是人体的结构组织之一,又是重要的造血器官,它在支持和保护体内器官、贮存钙和磷、参与人体代谢和为肌肉提供附着等方面具有重要的作用,因此了解骨的微观结构对预防和治疗骨疾病有重要意义.由于骨形态多样化,无机和有机成分共存,而且骨样品对物理和化学处理十分敏感,因此对其研究存在许多实验困难.与其他表征技术相比,固体核磁共振(NMR)检测对骨样品不需要任何处理,不会破坏其自身结构,可以实现原位检测.另外,骨头中的许多元素(1H、13C、31P、19F、43Ca、29Si、25Mg和87Sr)都是NMR可观察核,因此高分辨固体NMR技术是研究骨基生物材料的强有力工具.该文综述了近年来固体NMR技术在骨基生物材料研究中的应用进展. 相似文献
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随着固体NMR理论和谱仪硬件技术的不断发展,近年来固体NMR技术在高分子多尺度结构与动力学研究领域中正发挥着越来越重要的作用. 多脉冲及高速魔角旋转(MAS)等质子高分辨技术的发展使得高灵敏度的1H谱可有效地用于高分子化学结构与链间相互作用的检测;基于化学键(J-耦合)相关和通过空间(偶极耦合)相互作用的各种二维异核相关谱NMR新技术,使得复杂高分子的链结构得以严格解析. 基于MAS下同核和异核偶极-偶极相互作用、化学位移各向异性等各向异性相互作用重聚的系列新技术,使得研究者可在采用高分辨1H或13C 检测信号的同时检测准静态下的各向异性相互作用,进而获得与之密切相关的结构和动力学信息. 通过质子偶极滤波技术可有效检测多相聚合物中的界面相与相区尺寸、高分子共混物中的相容性等问题. 在动力学的研究中,通过质子间自旋扩散的有效压制技术和化学位移各向异性的重聚,目前已经可以有效地获取链段上单个化学键的快速局域运动以及链段的超慢分子运动. 上述丰富的多尺度NMR技术可以使研究者在不同空间和时间尺度上对高分子聚合物的微观结构、相分离和动力学行为等进行详细的研究,进而阐明高分子微观结构与宏观性能的关联. 该文以固体NMR中最主要的2类核(1H和13C)的检测技术为主线,简单介绍近年来固体NMR领域的一些最新研究进展及其在高分子结构和动力学研究中的应用. 相似文献
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利用变温7LiNMR实验对Li-电池正极材料LiMn2O4和LiCoO2中Li+的运动特性进行了研究,结果表明,随实验温度的提高,LiMn2O4的7LiNMR谱线窄化,表明其中Li+迁移能力增加,而LiCoO2的谱线无变化.此外随温度提高,LiMn2O4的7Li的T1变短,而LiCoO2的T1变长,产生这种不同变化趋势的原因在于LiMn2O4和LiCoO2晶相结构的差异造成其中Li+迁移能力的差别,它们各自的相关时间τc使7Li核的T1分别位于T1-τc曲线极小点两侧. 相似文献
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为了制备适于原子干涉仪实验的低温锂原子样品,开展了锂原子的塞曼减速及与磁光阱囚禁相关的实验研究.设计并实现了一种结构紧凑的腔体内冷式多级线圈叠加的塞曼减速器,将速度小于600 m/s的7Li原子减速到60 m/s,磁光阱装载速率为5×108/s,囚禁原子数目1×109个,原子团的最低温度约为220±30μK.研究了光学黏胶中7Li原子的寿命与囚禁光频率失谐量的关系.这些结果为进一步开展7Li原子亚多普勒冷却、光势阱蒸发冷却以及原子干涉仪实验奠定了基础. 相似文献
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P. E. Stallworth X. Guo E. Tatham S. G. Greenbaum M. Arrabito S. Bodoarado N. Penazzi 《Solid State Ionics》2004,170(3-4):181-186
LiCoxNi1−xVO4 compounds (x=0, 0.2, 0.5, 0.8, 1.0) have been prepared for lithium ion batteries by different preparation methods, namely, wet-chemistry (WC) and solid-state (SS) routes. 51V nuclear magnetic resonance (NMR) has been employed to accurately assess the vanadium environments in these materials and results show that vanadium atoms are distributed in octahedral and tetrahedral sites. The fractions of vanadium atoms in tetrahedral/octahedral sites depends on composition and sample preparation conditions. The tetrahedral site, which is particularly dominant in samples produced via the WC route, is more affected by paramagnetic interactions and its 51V NMR spectrum is essentially Gaussian in shape. The octahedral site, on the other hand, exhibits first-order quadrupolar broadened satellites. Even though tetrahedral sites for a given x are comparable for WC and SS materials, there are some differences amongst octahedral environments, namely in the distributions of quadrupolar broadened satellites. The larger satellite distribution observed for WC materials is indicative of a larger distribution of structural defects for these as compared to SS materials. 相似文献
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Hollow Silica Spheres Embedded in a Porous Carbon Matrix and Its Superior Performance as the Anode for Lithium‐Ion Batteries
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Xi Cao Xiuyun Chuan Shuang Li Dubin Huang Guozhong Cao 《Particle & Particle Systems Characterization》2016,33(2):110-117
Silica (SiO2) is regarded as one of the most promising anode materials for lithium‐ion batteries due to the high theoretical specific capacity and extremely low cost. However, the low intrinsic electrical conductivity and the big volume change during charge/discharge cycles result in a poor electrochemical performance. Here, hollow silica spheres embedded in porous carbon (HSS–C) composites are synthesized and investigated as an anode material for lithium‐ion batteries. The HSS–C composites demonstrate a high specific capacity of about 910 mA h g?1 at a rate of 200 mA g?1 after 150 cycles and exhibit good rate capability. The porous carbon with a large surface area and void space filled both inside and outside of the hollow silica spheres acts as an excellent conductive layer to enhance the overall conductivity of the electrode, shortens the diffusion path length for the transport of lithium ions, and also buffers the volume change accompanied with lithium‐ion insertion/extraction processes. 相似文献
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The generation of pure quadrupolar stimulated-echo spectra is successfully demonstrated for the spin-
probe 9Be in a single crystal of triglycine fluoberyllate. This solid exhibits a paraelectric-to-ferroelectric phase transition. From experiments carried out for various mixing times no indications for a slow soft mode could be detected in this crystal. Then ion conducting lithium metal phosphates were studied using 7Li, another spin-
probe which allows for a non-selective excitation of the entire NMR spectrum. In the indium and the scandium phosphates ultra-slow Li hopping processes could be detected directly via the stimulated-echo technique in a time range of up to four orders of magnitude. Due to the relatively large gyromagnetic ratio and thus strong dipolar interactions of 7Li no pure quadrupolar echoes could be generated. However, from a variation of the evolution times the quadrupolar effects could be separated from the dipolar ones. Finally, the differences in the ion hopping times of lithium indium phosphate and of lithium scandium phosphate are briefly discussed. 相似文献
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AA-stacked borophene-graphene bilayer as an anode material for alkali-metal ion batteries with a superhigh capacity
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Yi-Bo Liang 《中国物理 B》2022,31(11):116302-116302
As the lightest two-dimensional material, monolayer borophene exhibits great potential as electrode materials, but it suffers from stability issues in the free-standing form. Here, the striped-borophene and graphene bilayer (sB/Gr) is found to be a high-performance anode material for rechargeable alkali-metal ion batteries. The first-principles results show that all the three alkali-metal atoms, Li, Na, and K, can be strongly adsorbed on sB/Gr with ultra-low diffusion barriers than that on pristine borophene/graphene, indicating good charge-discharge rates. Remarkably, high storage capacities are proposed for LIBs (1880 mA·h/g), NIBs (1648 mA·h/g), and KIBs (470 mA·h/g) with relatively small lattice change rate (<2.9%) in the process of alkali-metal atoms intercalations. These intriguing features of sB/Gr make it an excellent choice for batteries. 相似文献
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Induced absorption spectra in the range 200–900 nm at 77 and 290 K for Li2B4O7 single crystals, isotopically Li and B enriched are presented after irradiation of these crystals by thermal neutrons with fluence 1.8×1016 cm−2. The dependence of induced absorption spectra on the isotope composition was revealed: for 6Li210B4O7 and 7Li210B4O7 crystals intensive band in the region of 280–294 nm was observed. Under substitution of 7Li isotope by 6Li in the lithium tetraborate lattice no changes in the absorption spectra were observed. The nuclear reaction 10B(n,)7Li is proposed to be the main mechanism of formation of the radiation defects. 相似文献
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First-principles study on β-GeS monolayer as high performance electrode material for alkali metal ion batteries
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Meiqian Wan 《中国物理 B》2022,31(9):96301-096301
Based on the density functional theory calculations, we have investigated the feasibility of two-dimensional β-GeS monolayer as high-performance anodes for alkali metal ion batteries. The results show that the electrical conductivity of β-GeS monolayer can be enhanced after adsorbing the alkali metal atoms owing to the semiconductor-to-metal transition. The low diffusion barriers of alkali metal atoms on the β-GeS surface indicate a rapid charge/discharge rate without metal clustering. Moreover, the low average open-circuit voltage (0.211 V) and a high theoretical capacity (1024 mAh·g-1) for Na suggest that the β-GeS monolayer is a promising anode material for Na-ion batteries with high performance. 相似文献