A facile method to synthesize nitrogen and fluorine co-doped TiO2 nanoparticles by pyrolysis of (NH4)2TiF6

The nitrogen and fluorine co-doped TiO₂ (N-F-TiO₂) nanoparticles of anatase crystalline structure were prepared by a facile method of (NH₄)₂TiF₆ pyrolysis, and characterized by thermogravimetry-differential thermal analysis (TG-DTA), X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), and ultraviolet visible (UV-Vis) spectroscopy etc. With the increase of calcination temperature, (NH₄)₂TiF₆ decomposed into TiOF₂ and NH₄TiOF₃ at first, and then formed anatase-type TiO₂ with thin sheet morphology. H₃BO₃ as oxygen source can promote the formation of anatase TiO₂, but decrease the F content in the N-F-TiO₂ materials due to the formation of volatile BF₃ during the precursor decomposition. The photocatalytic activity of the obtained N-F-TiO₂ samples was evaluated by the methylene blue degradation under visible light, and all the samples exhibited much higher photocatalytic activity than P25. Moreover, the merits and disadvantages of this proposed method to prepare doped TiO₂ are discussed.     

NO分子b~4Σ~-—a~4Π_i(4,0)带的吸收光谱

通过对NO与He流动混合气体放电,产生了激发态的NO(a⁴Ⅱ_ii)分子.利用光外差-浓度调制吸收光谱技术测量了NO分子在12530-12850 cm^-1波段内的吸收光谱,并标识出b⁴∑^--a⁴Ⅱ_i（4,0）带在该波段内的324条跃迁谱线.采用标准⁴∑^-—⁴Ⅱ_i哈密顿量模型,通过非线性最小二乘法拟合其中267条谱线,拟合残差(0.0071 cm^-1)接近实验系统测量误差(0.007 cm^-1).获得的主要分子常数与文献提供的常数符合,并且拟合得到了精细结构分子常数.     

Density functional theory study of MgnNi2 （n=1-6） clusters

The geometries of Mg n Ni 2(n = 1-6) clusters are studied by using the hybrid density functional theory(B3LYP) with LANL2DZ basis sets.For the ground-state structures of Mg n Ni 2 clusters,the stabilities and the electronic properties are investigated.The results show that the groundstate structures and symmetries of Mg clusters change greatly due to the Ni atoms.The average binding energies have a growing tendency while the energy gaps have a declining tendency.In addition,the ionization energies exhibit an odd-even oscillation feature.We also conclude that n = 3,5 are the magic numbers of the Mg n Ni 2 clusters.The Mg 3 Ni 2 and Mg 5 Ni 2 clusters are more stable than neighbouring clusters,and the Mg 4 Ni 2 cluster exhibits a higher chemical activity.     

Wigner function and the entanglement of a quantized Bessel-Gaussian vortex state of a quantized radiation field

A new kind of quantum non-Gaussian state with a vortex structure,termed a Bessel-Gaussian vortex state,is constructed,which is an eigenstate of the sum of squared annihilation operators a2+b2.The Wigner function of the quantum vortex state is derived and exhibits negativity which is an indication of nonclassicality.It is also found that a quantized vortex state is always in entanglement.And a scheme for generating such quantized vortex states is proposed.     

一种实现光子晶体波导定向耦合型多路光均分的新方法

将多光子晶体单模波导平行、邻近放置构成定向耦合器. 依据自映像原理,数值分析了输入光场对称入射时,该系统中光的传播行为. 基于此结构,以三、四通道为例,设计了超微多路光分束器,并仅通过对称地改变耦合区中两个介质柱的有效折射率,使光场在横向发生重新分布,实现了输出能量的均分或自由分配. 和已报道结果相比,此调制方法更为简单易行而且效率更高,并可以推广到具有更多输出通道的光分束器中,在未来的集成光回路中具有广泛的应用价值. 关键词： 光子晶体波导 定向耦合器 分束器 能量均分     

紫外单光子成像系统增益特性研究

介绍了基于微通道板和楔条形阳极的紫外单光子成像系统的组成和工作原理.利用该系统分别研究了两块和三块微通道板在不同电压下的暗计数特性.实验和拟合结果表明微通道板的暗计数脉冲幅度呈负指数型分布,暗计数率随电压升高而增大.通过测试不同电压下的脉冲幅度分布曲线,发现微通道板增益在较高电压下更加均匀.研究了两块微通道板情况下,微通道板电压和间距对系统分辨率的影响.结果表明,系统分辨率随微通道板电压增加而提高;另外,适当增加微通道板间距也可以提高系统分辨率. 关键词： 单光子计数成像 微通道板 楔条形阳极 分辨率     

三维多相场数值模拟共晶CBr4-C2Cl6合金在不同抽拉速度下的形态选择

利用KKSO多相场模型对定向凝固共晶CBr₄-C₂Cl₆合金的三维恒速及变速生长过程进行了研究,再现了不同抽拉速度下共晶形态演化及选择过程,建立了形态选择图,研究了变速过程的界面平均生长速度及界面平均过冷度的变化.结果表明,变速前后的形态选择与恒速下的形态选择一致;变速过程的形态演变、界面平均生长速度和界面平均过冷度的变化均产生滞后效应;界面平均生长速度和界面平均过冷度之间的关系与理论结果符合较好. 关键词： 多相场模型 共晶生长 抽拉速度     

镍基单晶高温合金相界面错配位错网络的演化

运用分子动力学方法,研究了镍基单晶高温合金γ/γ′相界面错配位错网络的特征.通过对界面位错的形成、位错的反应、位错网络的演化等现象的分析发现,在温度场影响下,位错网络将由弛豫初期的十四面体演化成最终的正六面体. 关键词： 镍基单晶高温合金 相界面错配位错 位错网络演化 分子动力学     

Dynamic behaviour of the icosahedral Al——Pd——Mn quasicrystal with a Griffith crack

The dynamic response of an icosahedral Al--Pd--Mn quasicrystal with a Griffith crack to impact loading is investigated in this paper. The elastohydrodynamic model for the wave propagation and diffusion together with their interaction is adopted. Numerical results of stress, displacement and dynamic stress intensity factors are obtained by using the finite difference method. The effects of wave propagation, diffusion and phonon--phason coupling on the quasicrystal in the dynamic process are discussed in detail, where the phason dynamics is explored particularly.     

BiH(D,T)分子基态结构与势能函数

采用量子力学从头计算方法,运用单双取代二次组态相互作用和单双（三）取代二次组态相互作用并结合LanL2DZ基组,计算优化了BiH（D,T）分子基态X³Σ的结构和离解能.并采用最小二乘法拟合改进的Murrell-Sorbie 函数得到了相应的势能函数.计算得到的光谱常数与实验光谱数据符合很好. 关键词： BiH（D T）分子基态 势能函数 Murrell-Sorbie函数