ZnAl2O4/α-Al2O3复合衬底的制备和GaN薄膜的生长

利用脉冲激光淀积法(PLD)在α-Al₂O₃衬底上淀积了ZnO薄膜, 通过ZnO和α-Al₂O₃固相反应制备了具有ZnAl₂O₄覆盖层的α-Al₂O₃衬底. X射线衍射谱(XRD)表明ZnAl₂O₄薄膜随反应时间由单一(111)取向转变为多晶取向, 然后变为不完全的(111)择优取向. 同时扫描电子显微镜(SEM)照片表明ZnAl₂O₄表面形貌随反应时间由均匀的岛状结构先变为棒状结构, 然后再变为突起的线状结构. 另外, XRD谱显示低温制备的ZnAl₂O₄在高温下不稳定. 在ZnAl₂O₄覆盖的α-Al₂O₃衬底上利用光加热低压MOCVD法直接生长了GaN薄膜. XRD测量表明随ZnAl₂O₄厚度增加GaN由c轴单晶变为多晶, 单晶GaN的摇摆曲线半高宽为0.4°. 结果表明薄ZnAl₂O₄覆盖层的岛状结构有利于GaN生长初期的成核, 从而提高了GaN的晶体质量.     

[Na(18-C-6)]2[Cu(i-mnt)2]的合成与结构分析

研究了18-冠-6与Na2[Cu(i-mnt)2][i-mnt=异丁二腈烯二硫醇阴离子,S2CC(CN)2-2]的反应,得到的配合物[Na(18-C-6)]2[Cu(i-mnt)2](1)通过元素分析、红外光谱、X射线单晶衍射进行了结构分析.配合物为单斜晶系,空间群P2(1)/c.晶体学结构数据a=1.2819(11),b=1.1793(10),c=1.4928(13)nm,β=99.121(16)°,V=2.228(3)nm3,Z=2,Dcaled.=1.369g/cm3,F(000)=958,R1=0.0521,wR2=0.1003.1中的[Cu(i-mnt)2]基团通过配体i-mnt的氮原子与两个[Na(18-C-6)]基团中的钠原子成键,形成稳定的中性配合物.     

Hydrodynamic Properties of Fe3O4 Kerosene-Based Ferrofluids with Narrow Particle Size Distribution

We investigate the hydrodynamic properties of Fe3O4 kerosene-based ferrofluids with narrow particle size distribution. The ferrofluids are synthesized by improving chemical coprecipitation technique. A narrow distribution of 8.6-10.8nm particle sizes is obtained from the magnetization curve with the free-form model based on the Bayesian inference theory. The fitting result is consistent with average particle size obtained from x-ray diffraction. With the increase of applied magnetic field and magnetic particle concentration, apparent viscosity of ferrofluids increases. At concentration 4.04%, the type of flow for the ferrofluid transforms from Newtonian to Bingham plastic fluid as the applied magnetic field increases.     

KrF激光诱导BrC2F4Br+C2H4反应

激光诱导化学合成是一有兴趣的课题。不久前已报导了红外激光诱导调聚反应的结果。由于红外激光的加热特性,在许多情况下导致选择性与量子产率的矛盾。因紫外光反应的低温特性,有可能获得较高的选择性。但普通光源是宽带光源,对一个以平方断链为主的链反应,过强的吸收不利于链长的提高,而弱吸收又使反应速度太慢。为此,激光光源是满足最佳吸收的合宜光源。在使用了昂贵的激光光源后,经济上的合理性主要取决于链长     

Origin of the 420 nm Absorption Band and Effect of Doping Fluorine in PbWO4 Crystals

The electronic structures for three types of PbW04 (PWO) crystals, the perfect PWO, the PWO containing lead vacancy (PWO-Vpb) and fluorine doped PWO crystal (F^-：PWO), are systematically studied within the framework of density functional theory. The computational results show that the Pb 6s state situates below the valence band so that Pb^2 ions are unable to trap holes forming Pb^3 or Pb^4 to compensate for VPb^2-. The hole-trappers in PWO-Vpb are O^2- ions. Two of the longer-bond O^2- ions share a hole forming O2^3-, and four of the longer-bond oxygen ions trap two holes forming an associated color centre [O2^3--Vpb-O2^3-], which may be the origin of the 42Onto absorption band. It is also concluded that the doping of F^- would reduce the band gap and F^- ions substituting for O^2- can effectively restrict the formation of [O2^3--Vpb-O2^3-] and weaken the 42Onm absorption band and hence enhance the scintillation property of PWO.     

3,7-二硝基亚氨基-2,4-二氮杂双环[3,3,0]辛烷的放热分解反应动力学

在程序升温条件下 ,用DSC研究了标题化合物的放热分解反应动力学 .用线性最小二乘法、迭代法以及二分法与最小二乘法相结合的方法 ,以积分方程、微分方程和放热速率方程拟合DSC数据 .在逻辑选择建立了微分和积分机理函数的最可几一般表达式后 ,用放热速率方程得到相应的表观活化能 (Ea)、指前因子 (A)和反应级数 (n)的值 .结果表明 :该反应的微分形式的经验动力学模式函数、Ea 和A值分别为 (1-α) 0 .44、2 30 .4kJ/mol和 10 18.16s-1.借助加热速率和所得动力学参数值 ,提出了标题化合物放热分解反应的动力学方程 .该化合物的热爆炸临界温度为 30 2 .6℃ .上述动力学参数对分析、评价标题化合物的稳定性和热变化规律十分有用 .     

2-乙酰氨基-3,4,6-三乙酰葡萄糖的合成

细菌内毒素(ＬＰＳ)是革兰氏阳性阴性菌细胞外膜层的主要成分,由其引起的革兰氏阴性杆菌脓度症和休克是导致战创伤病人死亡的主要原因之一。而从类脂Ａ(ＬｉｐｉｄＡ)的结构出发,以非肽类物质拮抗内毒素受体ＣＤ-14为治疗手段的研究在国外刚刚起步。2-乙酰氨基-3,4,6-三乙酰葡萄糖是合成ＬｉｐｉｄＡ结构类似物的重要中间体[1,2]。它的合成一般是通过氨基葡萄糖五乙酸酯的选择性水解[3-6]脱去一个乙酰基得到。氨基葡萄糖五乙酸酯是通过氨基葡萄糖的乙酰化反应得到的,由于氨基葡萄糖不稳定,一般是用氨基葡萄糖的盐酸盐作为起始原料。由于…     

Temperature-Dependent Dynamic Properties of LixMn2O4 in Monte Carlo Simulations

Monte Carlo (MC) simulations are used to simulate the voltage profile and the ionic conductivity s of Li ions in LixMn2O4 and its dependence on the lithium concentration x. The open circuit potential shows clearly the two plateaus in the charge/discharge curve, which agrees well with the experimental results. The two plateaus become more and more steep when the temperature is increased. The simulated ionic conductivity shows an M-shaped curve in the plot of ionic conductivity cr versus x when the simulation temperature is low. Interestingly,the minimum valley, which lies at the middle single-phase area near x=0.5, disappears gradually when the temperature increases to 453K.