A multiscale view in functional materials

Functional materials show various highly demanded performances originating from intrinsic features related to degrees of freedom in a lattice framework. Presently, deep physical or chemical insights of quantum materials stimulate researchers to clarify multiscale processes within both materials and devices, which may be understood as functional materials that possess energy origin beyond electron contribution. It is of great significance for the design of functional materials to understand the sources of properties of functional materials from the perspective of multi degrees of freedom via multiscale research methods. This short review illustrates the importance and explores the energy source of functional materials from multiple degrees of freedom perspectives. Moreover, we analyzed the multiple degrees of freedom within lithium niobate single crystals to clarify their multiscale features. This short review may, in some cases, provide a perspective for enhancing research scopes of functional materials and recommending some methodologies from multiple degrees of freedom perspectives.     

阳离子的电荷和半径对充满型钨青铜结构铌酸盐单晶生长和某些性质的影响

以碱金属,碱土金属,第一过渡族金属和稀土金属离子混合填无钨青铜铌酸盐的 A 位,使之构成 A 位充满型结构。用 Czochralski 法生长晶体。讨论了不同电荷及半径的离子对晶体生长习性,介电特性及居里点等的影响,比较不同的离子对晶体极化的稳定作用.     

掺钽LN单晶生长及其含钽量测定

本文研究并确定了掺钽LN单晶的生长条件。介绍了“此重法”的原理和操作,并首次用这种不损坏晶体样品的方法测定了生长出的一系列掺钽LN 晶体中的含钽量。     

核磁共振研究Ⅰ——乙醛烯醇锂的溶液结构

在-80℃至0℃温度范围内,测定了乙醛烯醇锂1在四氢呋喃(THF)中的~(13)C核磁共振自旋—晶格弛豫时间T_1。亚甲碳的弛豫比次甲碳快近七倍,两个碳核均有完全的核Overhauer效应(NOF),这些结果表明烯醇锂1在溶液中的运动是高度各向导性的。对这种典型烯醇锂的溶液结构提出了一种具有立方构型的,非刚性溶剂化四聚体模型,并就这个模型及其对反应机理的影响进行了讨论。     

铌酸钾晶体的倍频特性研究

本文首次对我国生长的铌酸钾晶体的光学倍频特性进行了系统的理论计算和实验研究。     

核磁共振研究Ⅱ乙醛烯醇锂聚集体在溶液中的动态行为

对乙醛烯醇锂在四氢呋喃和四氢呋喃-正已烷混合溶中的动态行为进行了~(13)C和~1H核磁共振和~(13)C自旋-晶格弛豫时间的研究。在这些溶剂中,乙醛烯醇锂能以两种溶剂化程度不同的非刚性四聚体同时存在,两种聚集体间的转换在低温下慢于NMR时标,温度对平衡的影响很小。在溶液中,聚集体整体运动是各向同性的;与此同时,乙烯基在聚集体内作快速内旋转。聚集休整体重取向运动和乙烯基内旋转的势垒分别为8.5±0.7 KJ·mol~(-1)和6.6±1 KJ·mol~(-1)。     

Double carbon decorated lithium titanate as anode material with high rate performance for lithium-ion batteries

Spinel lithium titanate(Li_4Ti_5O_(12)) has the advantages of structural stability, however it suffers the disadvantages of low lithium-ion diffusion coefficient as well as low conductivity. In order to solve issues,we reported a simple method to prepare carbon-coated Li_4Ti_5O_(12)/CNTs(C@Li_4Ti_5O_(12)/CNTs) using stearic acid as surfactant and carbon source to prepare carbon coated nanosized particles. The obtained Li_4Ti_5O_(12) particles of 100 nm in size are coated with the carbon layers pyrolyzed from stearic acid and dispersed in CNTs matrix homogeneously. These results show that the synthesized C@Li_4Ti_5O_(12)/CNTs material used as anode materials for lithium ion batteries, presenting a better high-rate performance(147 m Ahg~(-1)at20 C). The key factors affecting the high-rate properties of the C@Li_4Ti_5O_(12)/CNTs composite may be related to the synergistic effects of the CNTs matrix and the carbon- coating layers with conductivity enhancement. Additionally, the amorphous carbon coating is an effective route to ameliorate the rate capability of Li_4Ti_5O_(12)/CNTs.     

磁粉离合器在锂带轧机张力控制系统中的应用

分析了张力对薄带材轧制过程的影响,利用磁粉离合器的激磁电流与转矩成线性关系这一特性,设计了闭环张力控制系统。该系统由张力传感器、张力控制仪和磁粉离合器等部分构成,结构简单,性能稳定。     

改进Elman网络在锂离子电池容量预测中的应用

为了准确估算锂离子电池的荷电状态(SOC),在分析影响锂离子电池剩余容量时变特性的基础上,综合国内外几种常用的预测锂离子电池方法,将改进Elman网络应用到锂离子电池的容量预测和模型建立中。实验结果表明:该网络不仅局部泛化能力好,而且有较好的动态性能和逼近能力,能够满足电池容量预测的误差要求。     

铋修饰LiMn2O4 锂离子电池正极材料的研究

采用溶胶凝胶法合成了LiMn2O4及其表面Bi修饰材料, 通过聚丙烯酸(PAA)螯合的Bi(NO3)3溶液浸泡LiMn2O4以及煅烧合成了PAA-Bi/LiMn2O4材料. 采用TGA、XRD、SEM、循环伏安和充放电循环研究了3种锂离子电池正极材料的综合性能. 研究表明,Bi修饰的2种LiMn2O4材料电池的循环稳定性均提高. PAA浸泡-煅烧法的优点是避免了杂质Bi2Mn4O10的形成,PAA-Bi/LiMn2O4的首次放电容量损失较少,同时电池的循环稳定性大大提高.