Synthesis, structure and optical properties of Eu/TiO2 nanocrystals at room temperature

The nanocrystal samples of titanium dioxide doped with europium ion (Eu³⁺/TiO₂ nanocrystal) are synthesized by the sol-gel method with hydrothermal treatment. The Eu³⁺ contents (molar ratio) in the samples are 0, 0.5%, 1%, 2%, 3% and 4%. The X-ray diffraction, UV-Vis spectroscopy data and scanning electron microscope image show that crystallite size is reduced by the doping of Eu³⁺ into TiO₂. Comparing the Raman spectra of TiO₂ with Eu³⁺/TiO₂ (molar ratio Eu³⁺/TiO₂=1%, 2% and 4%) nanocrystals at different annealing temperatures indicates that the anatase-to-rutile phase transformation temperatures of Eu³⁺/TiO₂ nanocrystals are higher than that of TiO₂. This is due to the formation of Eu-O-Ti bonds on the surface of the TiO₂ crystallite, as characterized by the X-ray photoelectron spectroscopy. The photoluminescence spectra of TiO₂ in Eu³⁺/TiO₂ nanocrystals are interpreted by the surface self-trapped and defect-trapped exciton relaxation. The photoluminescence of Eu³⁺ in Eu³⁺/TiO₂ nanocrystals has the strongest emission intensity at 2% of Eu³⁺ concentration.     

Constructions of External Difference Families and Disjoint Difference Families

External difference families (EDFs) are a type of new combinatorial designs originated from cryptography. In this paper, some earlier ideas of recursive and cyclotomic constructions of combinatorial designs are extended, and a number of classes of EDFs and disjoint difference families are presented. A link between a subclass of EDFs and a special type of (almost) difference sets is set up.     

Spin-transfer switching in MgO magnetic tunnel junction nanostructures

Spin-transfer driven switching was observed in MgO based magnetic tunnelling junctions (MTJ) with tunnelling magnetoresistance ratio of up to 160% and the average intrinsic switching current density (J_c0) down to 2 MA/cm², which are the best known results reported in spin-transfer switched MTJ nanostructures. Based on a comparison of results both from MgO and AlO_x MTJs, further switching current decrease via MgO dual structures with two pinned layers is discussed.     

森林发展系统的一个非线性半离散模型

本文建立了森林发展系统的一类非线性林龄面积结构的半离散模型 ,并讨论了半离散系统解的存在唯一性 ,给出了线性半离散系统稳定的一些充分条件     

Interior point cutting plane method for optimal power flow

In this paper, an interior point cutting plane method (IPCPM)is applied to solve optimal power flow (OPF) problems. Comparedwith the simplex cutting plane method (SCPM), the IPCPM is simpler,and efficient because of its polynomial-time characteristic.Issues in implementing IPCPM for OPF problems are addressed,including (1) how to generate cutting planes without using thesimplex tableau, (2) how to identify the basis variables inIPCPM, and (3) how to generate mixed integer cutting planes.The calculation speed of the proposed algorithm is further enhancedby utilizing the sparsity features of the OPF formulation. Numericalsimulations on IEEE 14-300-bus test systems have shown thatthe proposed method is effective.     

神光Ⅱ上柱形黑腔辐射驱动冲击波

利用神光Ⅱ的八路三倍频激光装置，驱动柱形黑腔产生的x 射线作辐射源驱动台阶铝样品产生冲击波，获得了清晰的冲击波图像，通过冲击波过台阶样 品的时间差获得冲击波速度和压力分别为31.2km/s和17.5×10⁵MPa.采用软x射线能谱 仪通过激光注入孔测量的辐射温度与采用冲击波法测量辐射温度的结果一致. 关键词： 冲击波 辐射驱动 辐射温度     

质子化丙酮分子团簇的结构和振动光谱

用密度泛函B3LYP/ 6 3 1G(d)方法 ,对质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)弱相互作用体系进行了全自由度能量梯度优化 ,得到了该系列团簇的稳定结构及其对应的体系能量 .通过对构型的分析得出了质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)的生长规律 .计算了中性丙酮分子团簇体系的质子亲合能并总结出其变化趋势 .分析讨论了质子化团簇的红外振动光谱 ,发现质子化团簇的振动光谱普遍较中性环型团簇的振动光谱复杂 ,最强的振动峰来源于质子在溶剂壳中两个氧原子之间的振动 ,而且随着团簇尺寸的增加羰基的伸缩振动峰的数目也随之增多     

C2（a 3Πu）+NO 的反应机理研究

在G2 (CC ,MP2 )理论水平上研究了C2 (a3 Πu)自由基与NO分子的反应 .计算了反应体系最低二重态势能面上各驻点的构型参数、振动频率和能量 ,揭示了此反应存在两种反应机理 :由NO中的O原子进攻C2 自由基形成CCON中间体的CCON机理和NO中的N进攻C2 自由基形成CCNO中间体的CCNO机理 ,分析了对应与这两种反应机理的五个可能的反应通道 ,得出了由NO中的N原子进攻3 C2 自由基 ,生成中间体CCNO自由基 ,最终得到产物CN +CO的通道是最有利的通道 .     

A new regioselective synthesis and bioactivity of 1H‐pyrazolo[3,4‐d]pyrimidin‐4(5H)‐one derivatives

A series of new 1H‐pyrazolo[3,4‐d]pyrimidin‐4(5H)‐one Derivatives 5 has been designed and regio‐selectively synthesized via a tandem aza‐Wittig reaction. The structures of all compounds prepared have been confirmed by ¹H NMR, IR, EI‐MS spectroscopy and elemental analyses. The results of preliminary bioassay indicate that most compounds 5 possess an inhibition effect against Botrytis cinereapers and Pyricularia oryzae at the concentration of 50 mg/L.