Enhanced quantum size effect in Li and Na clusters via rare gas doping

Albeit its chemical inertness, rare gas doping can substantially enhance the quantum size effect of nanocrystals, yet little attention has been paid on this fascination and the mechanism behind remains unclear. Here, we show that the rare gas dopant breaks bonds of its neighboring atoms, which effects the same to atomic under‐coordination on the bond strain, energy quantum entrapment, and valence electron polarization of Li and Na clusters. Consistency between density functional theory calculation and the bond‐order‐length‐strength correlation prediction revealed that the bond strain by 16.86% and 21.12% before and after He doping for Na₃₀ clusters. Observations suggest an effective yet simple means to modulate the physical properties by doping the inert gases.     

Potassium‐Sodium‐Niobate‐Based Thin Films: Lead Free for Micro‐Piezoelectrics

Extensive research and great progress of (K,Na)NbO₃ (KNN)‐based lead‐free piezoelectric films have been driven by the current legislation and the requirement for sustainable development of society and environment in the applications of microelectromechanical systems. A comprehensive discussion of the recent achievement in KNN‐based films is presented herein. First, the available synthetic techniques, chemical modification, the ferroelectric and piezoelectric properties of KNN‐based films are reviewed, followed by an introduction of the crystal structures and electrical properties of KNN‐based epitaxial films in comparison with the bulk ceramics. Finally, the applications of KNN‐based films for the sensors, the energy harvesters, and energy storage devices are addressed, and current challenges and prospects for future work are discussed.     

Superconducting slab in contact with thin superconducting layer at higher critical temperature

Within the framework of nonlinear time dependent Ginzburg–Landau equations (TDGL) we study the properties of a mesoscopic superconducting film with both surfaces in contact with a thin superconducting layer at a higher critical temperature. The properties of the layer are taken into account by the de Gennes boundary conditions via the extrapolation length b. We assume that the magnetic field is parallel to the multilayer interfaces. We obtain magnetization curves and calculate the spatial distribution of the superconducting electron density using a numerical method based on the technique of gauge invariant variables. This work tests both the rectangular cross-section size and b limit for the occurrence of vortices in a mesoscopic sample of area d_xxd_y where d_y = 80ξ(0) and dx varies discretely from 20ξ(0) to 3ξ(0). Our data also show a linear behavior of the magnetization curve and a power-law of order parameter modulus in limit b → 0_-.     

Phase transition in Na2SO4: all five polymorphic transformations in DSC

In this investigation, we have characterized the Na₂SO₄ using differential scanning calorimetry (DSC). It is well known that Na₂SO₄ exhibits five polymorphs. However, the experimental evidence for all five polymorphs has never been observed in DSC. In this investigation, the five polymorphic transformations have been observed in heating cycle. Furthermore, the transition I–II is observed, which is not reversible. In addition, phase transition temperature for V→IV and IV→III transition appears to be much closed and may get unnoticed.     

电荷补偿对Sr2SiO4:Dy3+材料发射光谱的影响

采用高温固相反应方法在空气中制备了Sr2SiO4:Dy3+发光材料.在365 nm紫外光激发下,测得Sr2SiO4:Dy3+材料的发射光谱为一多峰宽谱,发射峰分别位于486,575和665 nm处.研究了电荷补偿剂Li+,Na+和K+对Sr2SiO4:Dy3+材料发射光谱强度的影响,结果显示,不同电荷补偿剂下,随电荷补偿剂掺杂浓度的增大,Sr2SiO4:Dy3+材料发射光谱强度的演化趋势相同,即,Sr2SiO4:Dy3+材料发射峰强度先增大后减小,但不同电荷补偿剂下,材料发射峰强度最大处对应的补偿剂浓度不同,对应Li,Na+和K+时,浓度分别为4 mol%,3 mol%和3 mol%.同时,对研究结果进行了理论分析.     

ChemInform Abstract: Stochastic Search of the Quantum Conformational Sapce of Small Lithium and Bimetallic Lithium—Sodium Clusters

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.     

Solid-state natural abundance 25Mg NMR studies of Na2MgEDTA x 4 H2O--a possible new reference compound for 25Mg NMR spectroscopy

Natural abundance solid-state (25)Mg NMR measurements were made of the disodium salt of magnesium ethylenediaminetetraacetate tetrahydrate (Na(2)MgEDTA x 4 H(2)O). Both magic angle spinning (MAS) and static experiments were employed to determine the quadrupole coupling constant (C(q)) and the asymmetry parameter (eta(q)) of the electric field gradient (EFG) tensor associated with (25)Mg in this compound, giving the values C(q) = 1.675(5) MHz and eta(q) = 0.15(1). The isotropic chemical shift was determined to be delta(iso) = 0.25(10) ppm (relative to 11 M MgCl(2) aqueous solution) and a small chemical shift anisotropy (CSA) contribution (approximately -13 ppm) was detected, one of the first CSA reports in (25)Mg NMR. This compound exhibited remarkably good (25)Mg NMR sensitivity, due to its fast spin-lattice relaxation and modest quadrupole coupling, which allowed its use as a secondary shift reference and as a test sample for the implementation and optimisation of signal-enhancement methods in (25)Mg NMR spectroscopy, such as double frequency sweeps (DFS) and the use of adiabatic hyperbolic secant (HS) and WURST pulses.     

抗癫痫药卡马西平的流动注射化学发光分析

在酸性条件下,卡马西平对KMnO4-Na2SO3化学发光体系具有明显的增敏作用,据此建立了流动注射化学发光测定卡马西平的新方法.该发光体系中,卡马西平质量浓度在1.0×10-9～1.0×10-6 g/mL 范围内与发光强度呈良好的线性关系,检出限为2.0×10-10g/mL,对1.0×10-7 g/mL 卡马西平进行11次平行测定,其相对标准偏差为0.9%.本方法已应用于片剂中卡马西平测定,并与药典方法进行了对照.     

Hetero-heptanuclear (Fe–Na) complexes of salicylaldehydes: crystal and molecular structure of [Fe2(3-OCH3-salo)8 · Νa5] · 3OH · 8H2Ο

The reaction of Fe(III) with the substituted salicylaldehydes [X-saloH, where X = 3-OCH₃ (L ¹ ), 5-CH₃ (L ² ), 5-Cl (L ³ ), 5-NO₂ (L ⁴ )] led to the formation of four new iron(III) hetero-heptanuclear complexes (Fe–Na) under the general formula [Fe₂(X-salo)₈Νa₅] · 3OH · zH₂Ο. The two different coordination modes of the ligand, as well as the geometry around the metal ions were deduced by X-ray structure analysis of compound 1, [Fe₂(3-OCH₃-salo)₈Νa₅] · 3OH · 8H₂Ο. The complexes have also been characterized by physicochemical and spectroscopic (IR, UV–Vis, Mössbauer) methods.     

Direct preparation of K0.5Na0.5NbO3 powders

K_0.5Na_0.5NbO₃ powders have been directly synthesized by an alternative solid–state method. Stoichimometric mixture of ammonium niobium oxalate and C₄H₄O₆KNa·4H₂O were calcined in temperature range from 500 to 800 °C for 3 h. The precursor and calcination products were characterized with respect to stoichiometry, purity, crystalline structure, particle size and powder morphology using X–ray diffraction (XRD), X‐ray fluorescence (XRF) spectrometer, scanning electron microscope (SEM), Fourier transform infrared (FTIR) spectra, thermogravimetric (TG) analysis, differential scanning calorimetry (DSC) and UV–Vis diffuse reflectance (UV–Vis) spectroscopy. XRD and XRF results reveal that stoichiometric K_0.5Na_0.5NbO₃ powders could be synthesized by the method. The particle size is about 68 nm for the precursor calcined at 500 °C according to XRD data, which is in good agreement with SEM data. The average band gap energy is estimated to be 3.18 eV by UV–vis diffuse reflectance spectra. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)