164Lu的三轴超形变核态的研究

利用TRS方法对双奇核¹⁶⁴Lu的位能面进行了计算,确认了¹⁶⁴Lu核的一条三轴超形变带,结果与实验较好地符合,同时指出了三轴超形变带的一个具体的组态     

(ΩΩ)0+ Dibaryon Productions in Central Au+Au Collisions at RHIC Energy(SNN)= 130 GeV

Based on the measured transverse mass spectra ofπr-, K-, and p at the RHIC energy s()NN = 130 GeV,di-omega productions from baryon-baryon reactions in hadronic matter are studied. Results about the (ΩΩ)0+ numbershow that the deeply bound state (ΩΩ)o+ can be observed at RHIC energies.     

理想微裂纹系统中的随机扩展效应

本文讨论了在理想微裂纹系统中,由于微裂纹的随机性扩展,对微裂纹统计演化产生的效应。文中提供了一般的理论框架,给出了便于处理的转移概率的表达式。最后,用数值计算的例子展示了随机模型的统计演化特征,并比较了与确定性扩展模型下统计演化的异同。     

An Improved Extra-Gradient Method for Minimizing a Sum of p-norms—A Variational Inequality Approach

This paper presents a variational inequality (VI) approach to the problem of minimizing a sum of p-norms. First the original problem is reformulated as an equivalent linear VI. Then an improved extra-gradient method is presented to solve the linear VI. Applications to the problem of p-norm Steiner Minimum Trees (SMT) shows that the proposed method is effective. Comparison with the general extra-gradient method is also provided to show the improvements of the new method.     

Li^＋／MgO上乙烷氧化脱氢制乙烯的研究（Ⅱ）：催化作用机理

借助ＸＲＤ、ＩＲ、ＴＧ等技术对Ｌｉ＾＋／ＭｇＯ进行了表征，结果表明，酸、碱中心的数目，强度、催化性与Ｌｉ＾＋的添加量相关 ，起酸碱作用的表面金属离子、表面低配位氧集团、Ｏ（Ｌ ｉ＾＋Ｏ＾－）是其反应的活性物种，反应机理可能由离子基、游离基协同完成。     

固体CD光谱研究及其应用于手性席夫碱M(II)配合物

结合课题组近期的相关研究,对固体CD光谱在手性配合物研究中的应用,特别是手性样品固体CD光谱的测试方法进行了概述,通过对四对手性席夫碱M(II)(M=Ni、Cu)配合物的固体和溶液CD光谱进行比较研究,发现配合物的手性构型在固液相中保持一致,但其固液CD光谱之间存在不同程度的差异,可能是由于相应配合物在固体和溶液相中的四面体扭曲或构象的微妙不同所致.     

Preparation and electrochemistry of azobenzene self-assembled monolayers on gold--long range tunneling and end-group hydrogen bonding effect

A series of thiol-functionalied azobenzene derivatives (RAzoCnSH: R=H for n=3-6, abbreviated as AzoCnSH; R=CH(3)CONH for n=4, abbreviated as aaAzoC4SH) on gold electrodes were prepared and their self-assembly and electrochemical properties were studied by cyclic voltammetry. They all formed uniform and reproducible self-assembled monolayers (SAMs) on gold and showed well-behaved voltammetric responses in aqueous solution. Both the length of the alkyl chain spacer and the H-bonding of the end acetamino group had effects on the stability and the electrochemical kinetics of the SAMs, and the effect of the H-bonding was dominant. The surface coverage of the SAMs (AzoCnSH) is gradually increased with an increase of the alkyl chain spacer length, whereas the presence of the terminal acetamino group leads to a greater increase of the surface coverage. At a low scan rate, voltammetric responses corresponding to an irreversible two-electron, two-proton reduction/oxidation of the trans-azobenzene redox center were obtained in the range of +300 mV and -800 mV, which exhibited very large peak-to-peak splitting. At a high scan rate of 500 mV/s, two steps of reversible one-electron, one-proton reduction/oxidation corresponding to the cis-isomer in azobenzene-thiol SAMs (n is odd) was clearly observed between +300 and -200 mV. The apparent electron-transfer rate is decreased with increasing distance between the azobenzene redox center and the gold electrode. The existence of the end acetamino group which restricted the conformational change during the redox process also led to a decrease of the standard rate constant, and this restriction effect is more predominant than the distance effect.     

Tetra(μ3-hydroxo)hexa(μ2-carboxylato-O,O′)-bridged tetranuclear terbium(III) cubane complex

A novel tetranuclear terbium(III) complex [Tb₄(OH)₄(pybet)₆(H₂O)₈][Tb₄(OH)₄(pybet)₆(H₂O)₇ (NO₃)](ClO₄)₁₄·6H₂O has been synthesized and shown by X-ray crystallography to have a cubane-like Tb₄(μ₃-OH)₄(μ₂-carboxylato-O,O′)₆ core. The ligand pybet is pyridinoacetate, C₅H₅⁺N-CH₂CO₂⁻. Magnetic susceptibility data were measured for this Tb₄ complex in the range of 2.0–320 K and in fields of 1.0 G to 50.0 kG. It is concluded that either there is very weak antiferromagnetic exchange interaction (J = −0.015 cm⁻¹) or there is a small crystal-field splitting of the ⁷F₆ Tb^III ground state.     

Ce-Zr-Ba-O纳米材料的制备及其结构与性能研究

以金属硝酸盐为原料,分别采用高分子前驱体法、柠檬酸盐凝胶法制备了纳米级的Ce-Zr-Ba-O复合氧化物超细粒子,采用X-射线衍射(XRD)、透射电镜(TEM)、BET比表面测定、热重-差热(TG-DTA)技术对催化剂进行了表征,并考察了催化剂的CO氧化活性和热稳定性。实验结果表明,高分子前驱体法和柠檬酸盐凝胶法制备的催化剂粉体都达到了纳米级。两种方法中,高分子前驱体法所制得的催化剂的BET比表面达118.96m²·g^-1,CO氧化反应活性较高,同时该方法制得的催化剂分散性好,无团聚,经1000℃高温焙烧后仍基本无烧结、无团聚现象,具有较高的热稳定性。     

Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite

The coexistence of multiferroic orders has attracted increasing attention for its potential applications in multiple-state memory, switches, and computing, but it is still challenging to design single-phase crystalline materials hosting multiferroic orders at above room temperature. By utilizing versatile ABX₃-type perovskites as a structural model, we judiciously introduced a polar organic cation with easily changeable conformations into a tetrafluoroborate-based perovskite system, and successfully obtained an unprecedented molecular perovskite, (homopiperazine-1,4-diium)[K(BF₄)₃], hosting both ferroelectricity and ferroelasticity at above room temperature. By using the combined techniques of variable-temperature single-crystal X-ray structural analyses, differential scanning calorimetry, and dielectric, second harmonic generation, and piezoresponse force microscopy measurements, we demonstrated the domain structures for ferroelectric and ferroelastic orders, and furthermore disclosed how the delicate interplay between stepwise changed dynamics of organic cations and cooperative deformation of the inorganic framework induces ferroelectric and ferroelastic phase transitions at 311 K and 455 K, respectively. This instance, together with the underlying mechanism of ferroic transitions, provides important clues for designing advanced multiferroic materials based on organic–inorganic hybrid crystals.

An unprecedented tetrafluoroborate-based perovskite reveals the coexistence of ferroelastic and ferroelectric transitions arising from delicate interplay between stepwise frozen organic cations and cooperative deformation of the framework.