Mitigation of Jahn–Teller distortion and Na+/vacancy ordering in a distorted manganese oxide cathode material by Li substitution

Layered manganese-based oxides are promising candidates as cathode materials for sodium-ion batteries (SIBs) due to their low cost and high specific capacity. However, the Jahn–Teller distortion from high-spin Mn³⁺ induces detrimental lattice strain and severe structural degradation during sodiation and desodiation. Herein, lithium is introduced to partially substitute manganese ions to form distorted P′2-Na_0.67Li_0.05Mn_0.95O₂, which leads to restrained anisotropic change of Mn–O bond lengths and reinforced bond strength in the [MnO₆] octahedra by mitigation of Jahn–Teller distortion and contraction of MnO₂ layers. This ensures the structural stability during charge and discharge of P′2-Na_0.67Li_0.05Mn_0.95O₂ and Na⁺/vacancy disordering for facile Na⁺ diffusion in the Na layers with a low activation energy barrier of ∼0.53 eV. It exhibits a high specific capacity of 192.2 mA h g⁻¹, good cycling stability (90.3% capacity retention after 100 cycles) and superior rate capability (118.5 mA h g⁻¹ at 1.0 A g⁻¹), as well as smooth charge/discharge profiles. This strategy is effective to tune the crystal structure of layered oxide cathodes for SIBs with high performance.

Li-Substitution in P′2-Na_0.67MnO₂ mitigates the anisotropic change of Mn–O bonds and Na/vacancy ordering, and hence significantly promotes its cycling stability and rate capability as a cathode material for sodium-ion batteries.     

Using three major criteria to evaluate aromaticity of five-member C-containing rings and their Si-, N-, and P-substituted aromatic heterocyclics

In this paper, we used bond-length equalization, aromatic stabilization energies (ASE) and nucleus-independent chemical shifts (NICS), calculated with (density functional theory) B3LYP levels at the 6-311+G^** basis set, to evaluate the aromaticity of a set of 38 five-member planar π-electron aromatic systems: sila-, aza- and phospha- derivatives and their parent systems. The result revealed statistically significant correlations among the above three criteria, and the order of aromaticity of the whole set was: Aza- derivatives rings > Phospha- derivatives rings > Sila- derivatives rings > Carbon-containing rings; NICS(0.6) and NICS(0.8) had the same results in evaluating the order of aromaticity in our case.     

Polymerizable benzophenone derivatives for labeling vinyl acetate‐butylacrylate latex particles

We describe the synthesis and characterization of three new polymerizable benzophenone derivatives [2‐acryloxy‐5‐methyl benzophenone ( 8 ), 4′‐dimethylamino‐2‐acryloxy‐5‐methyl benzophenone ( 9 ), and 4′‐dimethylamino‐2‐(β‐acryloxyethyl)oxy‐5‐methyl benzophenone ( 10 )]. We show that these monomers can successfully be incorporated into vinyl acetate (VAc) copolymer latex particles. These particles were prepared by semicontinuous emulsion polymerization and mini‐emulsion polymerization of VAc with butylacrylate (BA) for VAc/BA = 4/1 by weight. The two monomers 9 and 10 bearing the 4′‐dimethylamino group satisfy the important spectroscopic criteria required of a dye to serve as an acceptor chromophore for nonradiative energy transfer from phenanthrene (Phe) as the donor. Their UV absorption spectra suggest significant overlap with the emission spectrum of Phe, which can be incorporated into P(VAc‐co‐BA) latex through copolymerization with 9‐acryloxymethyl Phe ( 2 ). In addition, these chromophores provide a window in their absorption spectra for excitation of the Phe chromophore at 300 nm. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 3001–3011, 2002     

盐卤硼酸盐化学──ⅩⅩⅧ.氯柱硼镁石的激光拉曼光谱

本文研究了氯柱硼镁石硼酸和硼砂的晶体和它们在水溶液中的激光拉曼光谱,并与某些阴酸盐的谱图进行对比.初步提出硼氧配阴离子的聚合形式,为进行氯柱硼镁石结构分析提供实验依据.     

脂肪族酰胺二元醇的合成与表征

以ＤＬ－乳酸、ε己内酯及乙二胺和己二胺为原料合成了四种结构的脂肪族酰胺二元醇，并用ＩＲ，＾１ＨＮＭＲ，ＤＳＣ对酰胺二元醇的结构进行了表征。     

环状缩醛对某些含官能团烯烃的自由基加成反应

率的加成产物。这些产物通常是不易制备的,因而该反应在这一类酯的合成中将是有效的方法。结果和讨论我们应用的1和含官能团的烯烃2反应,结果列于表1。显然,在体系中存在着多个反应的竞争。要使得上述加成成为主要反应,首先要减少2的自聚和调聚反应,其次要使如下的链反应能够实现(见 p.176)。     

有机官能化MSU-x孔分子筛的界面特征

MSU- x是自 M41S系列介孔分子筛问世以来所合成的另一类新型介孔分子筛材料 ,它具有三维立体交叉排列的 " worm- like"孔道结构特征及采用中性模板剂、廉价无毒等诸多合成优点 [1～ 4],有着潜在的应用价值 .为了改善纯硅的介孔材料的表面和孔道性质 ,扩大其应用领域 ,除了在骨架引入金属离子或在其孔道中负载催化活性物质外 ,对介孔材料进行有机官能化制备无机-有机杂化材料改善其骨架和孔道性质是当前研究的热点之一 [5].正是由于活性有机基团的存在 ,使得这些材料可直接用于催化反应 ,或作为中间介质成为其它络合离子的主体 .由于有机基…     

Spectrophotometric and Voltammetric Studies on the Interaction of Heparin with Phenosafranine

The interaction of phenosafranine （PSF） with a glycosaminoglycans of heparin （Hep） in aqueous solution has been characterized by UV-Vis absorption spectrophotometry and cyclic voltammetry in pH 1.5 Britton-Robinson （B-R） buffer solution. The addition of Hep caused decrease of the absorbance of PSF at 532 nm and the redox peak current of PSF. The study showed that an supramolecular complex of PSF-Hep was formed because of the electrostatic attraction of negatively charged Hep with the positively charged PSF, which resulted in the decrease of the equilibrium concentration of PSF in solutions, and the decrease of the absorbance or the peak current of PSF. The stoichiometry of the Hep/PSF complex was further calculated by voltammetric data with the result of 1：1 complex.     

Improvement on Simultaneous Determination of Cr(III) and Cr(VI) by Capillary Electrophoresis and Chemiluminescence Detection

Chromiumexistsindifferentoxidationstatesingroundwater,industrialwastewater,seawater,andsoilofourenvironment1,2.Chromium(III)isanessentialtraceelementforhumans,requiredforthemaintenanceofnormalglucose,cholesterol,andfattyacidmetabolism.Ontheotherhand,watersolublechromium(VI),intheformCr2O72-orCrO42-,ishighlyirritatingandtoxictohumansandanimals3.Itsacutetoxiceffectsincludeanimmediatecardiovascularshockandlatereffectsonkidney,liver,andblood-formingorgans.Therefore,itisnecessaryforriskassessme…     

Solvent extraction of permanganates (Na, K) by 18-crown-6 ether from water into 1,2-dichloroethane: elucidation of an extraction equilibrium based on component equilibria

Ion-pair formation constants (K_MLA mol⁻¹ dm³) of Na⁺– and K⁺–18-crown-6 ether (18C6) complexes with MnO₄⁻ in water (w) were determined potentiometrically at 25 °C. Simultaneously, extraction constants (K_ex mol⁻² dm⁶) of the permanganates with 18C6 from w into 1,2-dichloroethane at 25 °C were obtained from the spectrophotometric determination of distribution ratios of the permanganates. These K_ex values were divided into K_MLA and other three component equilibrium constants and thereby extraction-selectivity and -ability were discussed in comparison with corresponding metal picrate–18C6 extraction systems reported before.