Structural Aspects of P2-Type Na0.67Mn0.6Ni0.2Li0.2O2 (MNL) Stabilization by Lithium Defects as a Cathode Material for Sodium-Ion Batteries

A known strategy for improving the properties of layered oxide electrodes in sodium-ion batteries is the partial substitution of transition metals by Li. Herein, the role of Li as a defect and its impact on sodium storage in P2-Na_0.67Mn_0.6Ni_0.2Li_0.2O₂ is discussed. In tandem with electrochemical studies, the electronic and atomic structure are studied using solid-state NMR, operando XRD, and density functional theory (DFT). For the as-synthesized material, Li is located in comparable amounts within the sodium and the transition metal oxide (TMO) layers. Desodiation leads to a redistribution of Li ions within the crystal lattice. During charging, Li ions from the Na layer first migrate to the TMO layer before reversing their course at low Na contents. There is little change in the lattice parameters during charging/discharging, indicating stabilization of the P2 structure. This leads to a solid-solution type storage mechanism (sloping voltage profile) and hence excellent cycle life with a capacity of 110 mAh g^-1 after 100 cycles. In contrast, the Li-free compositions Na_0.67Mn_0.6Ni_0.4O₂ and Na_0.67Mn_0.8Ni_0.2O₂ show phase transitions and a stair-case voltage profile. The capacity is found to originate from mainly Ni³⁺/Ni⁴⁺ and O^2-/O^2-δ redox processes by DFT, although a small contribution from Mn⁴⁺/Mn⁵⁺ to the capacity cannot be excluded.     

Caesium carbonate supported on hydroxyapatite‐encapsulated Ni0.5Zn0.5Fe2O4 nanocrystallites as a novel magnetically basic catalyst for the one‐pot synthesis of pyrazolo[1,2‐b]phthalazine‐5,10‐diones

A novel nanomagnetic basic catalyst of caesium carbonate supported on hydroxyapatite‐coated Ni_0.5Zn_0.5Fe₂O₄ magnetic nanoparticles (Ni_0.5Zn_0.5Fe₂O₄@HAP‐Cs₂CO₃) was prepared. This new catalyst was fully characterized using Fourier transform infrared spectroscopy, transmission and scanning electron microscopy, X‐ray diffraction and vibrating sample magnetometry techniques, and then the catalytic activity of this catalyst was investigated in the synthesis of 1H‐pyrazolo[1,2‐b]phthalazine‐5,10‐dione derivatives. Also, Ni_0.5Zn_0.5Fe₂O₄@HAP‐Cs₂CO₃ could be reused at least five times without significant loss of activity and could be recovered easily by applying an external magnet. Thus, the developed nanomagnetic catalyst is potentially useful for the green and economic production of organic compounds. Copyright © 2015 John Wiley & Sons, Ltd.     

Ni(111)表面一氧化碳和氢共吸附的密度泛函理论研究

本文用密度泛函理论(DFT)的总能计算研究了一氧化碳和氢原子在Ni(111)表面上p(2×2)共吸附系统的原子结构和电子态，结果表明CO和H原子分别被吸附于两个对角p(1×1)元胞的hcp和fcc位置.以氢分子和CO分子作为能量参考点，总吸附能为2.81 eV，相应的共吸附表面功函数φ为6.28 eV.计算得到的C—O，C—Ni和H—Ni的键长分别是1.19?, 1.96?和 1.71?，并且CO分子以C原子处于hcp的谷位与金属衬底原子结合.衬底Ni(111)的最外两层的晶面间距在吸附后的相对变化分别是 关键词： Fisher-Tropsch反应 催化作用 Ni(111) p(2×2)/(CO+H) 共吸附     

An Integrated Two Phases Approach to Zn2+ Ions Electroreduction on Hg

The following two numerical models have been applied to zinc cations electroreduction in 1 M NaClO₄ water solution: a classical EE model describing the concentration of involved species in solution (semi infinitive diffusion region), an extended EE model describing both: the concentration of involved species in solution and the concentration of metallic zinc inside mercury drop (in limited area of diffusion). In the latter model the inner part of mercury drop and surrounding solution were treated as dynamic interrelated system. Both models were applied to experimental cyclic voltammetric CV data in 1 M NaClO₄, the results compared and discussed. The concentration profiles of all species including metallic zinc inside mercury drop were performed. The presented integrated model is essential for theoretical and analytical aspects of the electrochemistry of mercury soluble metal cations and amalgams.     

激光熔覆Ni基SiC合金涂层组织与性能的研究

利用5kWCO2连续波激光器在16Mn钢基材表面对含20%(体积比)SiC陶瓷粉末的镍基自熔性合金粉末进行激光熔覆得到Ni基SiC合金涂层(NiSiC)。研究了合金涂层的组织形貌及相结构,并用单纯的镍基合金涂层(Ni60)进行了显微硬度及滑动磨损性能的对比试验。结果表明,NiSiC合金涂层由γ枝晶及其间的共晶组织组成,主要组成相为γ-Ni,γ-(Ni,Fe)固溶体和(Cr,Fe)7C3,Cr23C6及(Cr,Si)3Ni3Si等化合物。添加SiC的镍基合金涂层NiSiC比单纯的镍基合金涂层Ni60具有较高的硬度和耐磨性。     

Interfacial reactions in In-Sn/Ni couples and phase equilibria of the In-Sn-Ni system

The In-Sn-Ni alloys of various compositions were prepared and annealed at 160°C and 240°C. No ternary compounds were found; however, most of the binary compounds had extensive ternary solubility. There was a continuous solid solution between the Ni₃Sn phase and Ni₃In phase. The Sn-In/Ni couples, made of Sn-In alloys with various compositions, were reacted at 160°C and 240°C and formed only one compound for all the Sn-In alloys/Ni couples reacted up to 8 h. At 240°C, Ni₂₈In₇₂ phase formed in the couples made with pure indium, In-10at.%Sn and In-11at.%Sn alloys, while Ni₃Sn₄ phase formed in the couples made of alloys with compositions varied from pure Sn to In-12at.%Sn. At 160°C, except in the In/Ni couple, Ni₃Sn₄ formed by interfacial reaction.     

(Ni0.8Zn0.2Fe2O4)epoxy-PZT双层膜中的磁电效应

讨论了Ni_0.8Zn_0.2Fe₂O₄ (NZFO)与锆钛酸铅(PZT)的双层膜结构样品的磁电(ME)效应.NZFO粉料由溶胶-凝胶法制成，再经900℃热压，并高温烧结.在该双层膜中测量到了很强的磁电相互作用.发现横向的磁电效应比纵向效应大一个数量级，并且随NZFO烧结温度的提高而增加.当烧结温度从950℃上升到1380℃时，横向ME电压系数(α_E)的最大值变化范围为25.6 mV Am^-2≤α_E≤199.6 mV Am^-2.理论分析显示NZFO-PZT双层膜样品中ME效应源于NZFO与PZT之间相对良好的磁电耦合. 关键词： 镍铁氧体 PZT 热压法 ME效应     

火焰原子吸收光谱法测定生物样品中锌、铜和锰

生物样品经消化处理后,用火焰原子吸收光谱法测定样品中锌、铜和锰的含量,平均加标回收率为97.3%-102.4%,相对标准偏差(RSD)为0.65 %-1.40%.锌、铜和锰在给定范围内呈现良好的线性关系,相关系数分别为0.9994、0.9994和0.9983,方法简便,快速,结果可靠.     

连续激光诱导Zn/InP掺杂过程中温度分布的解析计算

在实验的基础上，分析表面蒸发Zn的InP样品在连续激光诱导下掺杂Zn过程.在一维热传导问题的第三类边界条件下，给出激光辐照有限厚双层材料Zn/InP温度分布的一种直观简洁的解析形式. 关键词： 激光诱导掺杂 Zn/InP 温度分布