Mechano-hydrothermal preparation of Li-Al-OH layered double hydroxides

A mechano-hydrothermal (MHT) method was used to synthesize Li-Al-OH layered double hydroxides (LDHs) from LiOH·H₂O, Al(OH)₃ and H₂O as starting materials. A two-step synthesis was conducted, that is, Al(OH)₃ was milled for 1 h, followed by hydrothermal treatment with LiOH·H₂O solution. Effects of the LiOH/Al(OH)₃ molar ratio (R_Li/Al) and hydrothermal temperature (T_ht) on the crystallinity, morphology, and composition of the product were examined. The resulting LDHs were characterized by X-ray diffraction, transmission electron microscopy, scanning electron microscopy, Fourier transform infrared, and elemental analyses. The results showed that pre-milling plays a key role in the LDH formation during subsequent hydrothermal treatment. The Li/Al molar ratio of the obtained LDHs keeps constant at 0.5, independent from theR_Li/Al (0.5–5.0) in the starting materials. An increase in the T_ht (20–80 °C) can enhance the crystallinity and morphology regularity of the products. The so-obtained Li-Al-OH LDHs exhibit high crystallinity and well-dispersity, which may have wider applications than the aggregate ones obtained using conventional mechanochemical and Li⁺-imbibition methods.     

Nonclassicality of photon-modulated spin coherent states in the Holstein—Primakoff realization

Two new photon-modulated spin coherent states (SCSs) are introduced by operating the spin ladder operators J_± on the ordinary SCS in the Holstein-Primakoff realization and the nonclassicality is exhibited via their photon number distribution, second-order correlation function, photocount distribution and negativity of Wigner distribution. Analytical results show that the photocount distribution is a Bernoulli distribution and the Wigner functions are only associated with two-variable Hermite polynomials. Compared with the ordinary SCS, the photon-modulated SCSs exhibit more stronger nonclassicality in certain regions of the photon modulated number k and spin number j, which means that the nonclassicality can be enhanced by selecting suitable parameters.     

用热场动力学理论研究介观电路的Wigner函数

利用热场动力学及相干热态表象理论,重构了有限温度下介观RLC电路的Wigner函数,研究了有限温度下介观RLC电路的量子涨落.借助于Weyl-Wigner理论讨论了有限温度下介观RLC电路Wigner函数的边缘分布,并进一步阐明了Wigner函数边缘分布统计平均的物理意义.结果表明:有限温度下介观RLC电路中电荷和电流的量子涨落随着温度和电阻值的增加而增加,回路中的电荷和电流之间存在着压缩效应,这种量子效应是由于系统零点振动的涨落而引起的;有限温度下介观RLC电路Wigner函数边缘分布的统计平均正好是储存在介观RLC电路中电容和电感上的能量.     

Research on the Dynamic Problems of 3D Cross Coupling Quantum Harmonic Oscillator by Virtue of Intermediate Representation |<Emphasis Type="Italic">x</Emphasis>〉<Subscript><Emphasis Type="Italic">λ</Emphasis>,<Emphasis Type="Italic">ν</Emphasis></Subscript>

The intermediate representation (namely intermediate coordinate-momentum representation) |x〉 _λ,ν are introduced and employed to research the expression of the operator in intermediate representation |x〉 _λ,ν . The systematic Hamilton operator of 3D cross coupling quantum harmonic oscillator was diagonalized by virtue of quadratic form theory. The quantity of λ,ν,τand σ were figured out. The dynamic problems of 3D cross coupling quantum harmonic oscillator are researched by virtue of intermediate representation. The energy eigen-value and eigenwave function of 3D cross coupling quantum harmonic oscillator were obtained in intermediate representation. The importance of intermediate representation was discussed. The results show that the Radon transformation of Wigner operator is just the projectional operator |x〉 _{λ,ν λ,ν} 〈x|, and the Radon transformation of Wigner function is just a margin distribution.     

固相法制备聚噻吩/聚吡咯/二氧化钛膜及电化学腐蚀性能

在水蒸气气氛下,制备出表面富含羟基的纳米Ti O_2颗粒,然后在室温和氧化剂三氯化铁存在下,通过化学固相氧化法,在不锈钢表面制备出聚噻吩/聚吡咯/Ti O2(PTH/PPy/TiO_2)薄膜。采用X射线衍射(XRD)、扫描电子显微镜(SEM)、傅里叶变换红外光谱(FT-IR)、热重分析(TG)、电化学阻抗(EIS)等技术手段对产物的微观形貌、热稳定性和耐腐蚀性能进行了研究,并讨论了不同纳米TiO_2含量对复合材料的结构和性能的影响。结果表明,在其使用温度(20~300℃)下,PTH/PPy/6%Ti O_2(质量分数)膜热分解温度为450℃,能够满足其使用要求。用PTH/PPy/TiO_2膜保护的不锈钢比裸露的不锈钢的自腐蚀电位高出0.8 V以上,而腐蚀电流密度降低了2个数量级。TiO_2的添加明显的提高了PTH/PPy材料的抑制腐蚀的能力,并且由于TiO_2的加入能够使聚合物与无机纳米粒子之间能够紧密地结合在一起,减少膜的缺陷,增大复合材料与金属基体的力学性能,使得膜结构更加的致密,从而减缓不锈钢的腐蚀。     

Solvent effects on structure and optical properties of a D- π-A azobenzene dye

Time-dependent hybrid density functional theory in combination with Onsager reaction field model and super-molecular model has been applied to study solvent effects on the geometrical and electronic structures, as well as one/two-photon absorption properties, of 4-（N-（2-hydroxyethyl）-N-methyl）-amino-4＇-nitroazobenzene. It is found that the short-range interaction has a large effect on the electronic structure of the solute molecule, namely, large red-shift of the maximum one-photon absorption is induced by hydrogen bonding. The solute molecule has a large two-photon absorption cross section, which is enhanced by the solvent effect. The computational results are in good agreement with measurements.[第一段]     

Voltammetric studies on the interaction of epinephrine with DNA base on a glassy carbon electrode modified with Au nanoparticles

Ionics - The interaction of epinephrine (EP) with DNA, including double-strand DNA (dsDNA) and single-strand DNA (ssDNA) were investigated both in Mcllvaine buffer solution and on a glassy carbon...     

Theoretical determinations of ionization potentials of dopamine

Adiabatic and vertical ionization potentials (IPs) of nine conformers of dopamine in the gas phase are determined using density functional theory (DFT) B3LYP, B3P86, B3PW91 methods and high level ab initio HF method with 6-311++G** basis set, respectively. And the nine stable cationic states have been found in the ionization process of dopamine. Vertical ionization potentials of nine conformers of dopamine are calculated using the older outer-valence Green’s function (OVGF) calculations at 6-311++G** basis set. Vibrational frequencies and infrared spectrum intensities of G1b and G1b⁺ at B3LYP/6-311++G** level are discussed.     

Dipole excitations in the semi-magic nucleus 51V studied with the (γ,γ′) reaction

We report on a nuclear resonance fluorescence experiment on the semi-magic odd-mass fp-shell nucleus ⁵¹V. The detected dipole strength distribution is discussed on the basis of modern shell-model calculations employing a model space allowing for excitations of protons and neutrons from the 1f_7/2 to the (2p_1/2,2p_3/2,1f_5/2) shells. The calculations indicate that the main body of transitions is of magnetic dipole type, and they are capable of reproducing the observed distribution well. Possible electric dipole and quadrupole contributions are also discussed.     

利用二次型求解n模耦合谐振子能量本征值精确解

利用二次型理论构造一个幺正矩阵进行坐标和动量变换,把n模动量耦合谐振子体系的哈密顿量化为标准的二次型,进而得到n模动量耦合谐振子体系的能量本征值.对n模坐标耦合的情况也进行了类似求解,并提供了解决该类问题的一般数学方法.