有机胂化合物的研究——Ⅺ.溴化(氟代苄基)三苯基鉮的制备及其与芳醛的反应

S.Trippett 等曾报道溴化(对-氯苄基)三苯基鉮与羰基化合物在乙醇-乙醇钠中反应,得到环氧化合物。R.S.Tewari 等则报道溴化(对-溴,对-碘苄基)三苯基鉮与羰基化合物在甲醇-甲醇钠中反应得到烯烃。为了进一     

等结构化合物中离子半径的晶胞体积效应

本文从晶体结构的角度,证明等结构化合物晶胞边长、晶胞体积与离子半径之间存在以下关系:(1)多元化合物A_mB_m…X_p的晶胞体积V与某种阳离子如A的半径之间有关系式:V=(a+br_A)(r_X+r_A)~3 (a,b为常数)。(2)对于二元化合物关系式为:V=K(r_X+r_A)~3 (K为常数)。(3)由以上关系式可推得二元化合物V与_A~3r成近似直线关系,多元化合物V与r_A~3之间易表现为曲线关系,但r_A变化不大时仍近似为直线,另外V与r_A也成近似线性关系。(4)二元化合物品胞边长与r_A成线性关系,多元化合物无此线性关系。     

LaI3.6C11H12ON2的合成和表征

用溶解度等温法研究了LaI3-C11H12ON2(安替比林)-H2O三元体系在0℃时的相平衡,体系中有组成为LaI3.6C11H12ON2的二元复合物生成。本文还确定了该复合物的制备条件,测定了它的一些性质,并对其结构作了初步分析。     

熔体旋甩法制备p型填充式方钴矿化合物Ce0.3Fe1.5Co2.5Sb12的微结构及热电性能

采用熔体旋甩法结合放电等离子烧结技术(MS-SPS)制备了p型填充式方钴矿化合物Ce_0.3Fe_1.5Co_2.5Sb₁₂,研究了熔体旋甩工艺对微结构以及热电性能的影响规律.结果表明,较高的铜辊转速和较低的喷气压力有利于提高熔体的冷却速率,使带状产物晶粒细化.薄带经SPS烧结后得到致密、基本单相、晶粒尺寸均匀细小(150—300 nm)的块体.与传统方法制备的试样相比,MS-SPS试样虽然电导率有所降低,但因具有较大的Se 关键词： 熔体旋甩 p型填充式方钴矿化合物 微结构 热电性能     

Nb掺杂影响NiTi金属间化合物电子结构的第一性原理计算

采用基于密度泛函理论(DFT)的第一性原理平面波超软赝势方法,计算了Nb元素掺杂对B2构型NiTi金属间化合物电子结构的影响.点缺陷生成能的计算结果表明,Nb原子掺杂后,NiTi中产生Ni原子和Ti原子空位和反位点缺陷所需要的能量均明显升高;态密度计算结果表明,Nb原子掺杂后与临近原子发生了明显的s-s, p-p和d-d电子相互作用,增加了与临近原子之间的电荷密度,有利于Nb与合金原子的成键.这些由Nb掺杂所导致的NiTi电子结构和键合特征的变化均有利于促进Nb与合金原子的相互作用,在一定程 关键词： NiTi金属间化合物 点缺陷 电子结构 第一性原理计算     

Ni-Zn合金物相分析的实验研究

利用X射线物相分析技术,辅以金相分析方法、差热分析技术研究了Ni-Zn体系的4个合金.实验结果表明,Ni-Zn合金系中存在中间化合物NiZn3,该化合物稳定地存在于650℃到室温之间.400℃下NiZn3(75%Zn)化合物的点阵常量为a=3.31919(4)nm,b=0.8866(2)nm,c=1.2518(2)nm.     

Composition-Dependent Characterization of Sb2Te3 Thin Films Prepared by Ion Beam Sputtering Deposition

The optimization of ion beam sputtering deposition process for Sb2 Te3 thin films deposited on BK7 glass substrates is reported. The influence of composition ratio on the thermoelectric properties is investigated. X-ray diffraction shows that the major diffraction peaks of the films match with those of Sb2 Te3. Hall effect and Seebeck coefficient measurement reveal that all the samples are of p-type. The Sb2 Te3 thin films exhibit the Seebeck coefficient of 190μVk^-1 and the electrical conductivity of 1.1 × 10^3 Scm^-1 when the atomic ratio of Sb to Te is 0.65. Carrier concentration and motility of the films increase with the increasing atomic ratio of Sb to Te. The Sb2 Tea film with a maximum power factor of 2.26×10^-3 Win^-1K^-2 is achieved when annealed at 400℃. Raman measurement shows that the main peaks are at about 120 cm^-1, 252 cm^-1 and 450 cm^-1, in agreement with those of V-VI compound semiconductors.     

First-Principles Study of Electronic and Optical Properties of Y1-xCaxTiO3 （x=0, 0.25, 0.5, 0.75）

The full potential linearized augmented plane wave （FP-LAPW） method with the generalized gradient approximation （GGA） is applied to study the electronic and optical properties of perovskite-type compounds Y1-xCaxTiO3. The lattice parameters, magnetic moment, band structure, density of states and optical conductivity are obtained. The results show that the Ca ion plays an important role in the electronic properties and optical responses. Moreover, the optical properties including the dielectric function, absorption spectrum, extinction coefficient, energy-loss spectrum and refractive index are also discussed.     

Two-Photon Fluorescence Property and Ultrafast Dynamics of Two Dipolar Compounds with Dipicolinate as Electron Acceptor

Linear and nonlinear photophysical properties of two novel dipolar compounds named as trans- dimethyl-4-[4＇-（N,N-dimethylamino）-styry1]-pyridin-2,6-dicarboxylate （Xiao-1） and trans-dimethyl-4-[4＇-（N,N-diphenylamino）-styry1]-pyridin-2,6-dicarboxylate （Xiao-2） are investigated by steady-state absorption and fluorescence spectroscopy, Z-scan and two-photon excited fluorescence measurements. Strong two-photon fluorescence emission and the pronounced positive solvatochromism are observed from two compounds. The two-photon absorption cross section of Xiao-2 is about 1.5 times larger than that of Xiao-1. One-color and two-color femtosecond pump-probe experiments are employed to investigate the excited state dynamics of two compounds. The relaxation lifetime of the intra-molecular charge transfer state is determined to be in the hundreds of picosecond domain for both the compounds in THF, and several tens of picosecond in DMSO solutions.     

分散橙3掺杂聚合物薄膜的全光极化特性及其驰豫过程研究

利用旋涂法制备了分散橙3（DO3）/PMMA主客体掺杂薄膜,对其吸收谱、厚度和折射率进行了测量,并采用全光极化的方法对薄膜的二阶非线性光学特性进行了研究。实验结果表明,随着厚度的增加其二阶非线性先增强后减弱,d33最大值约为0.827×10-2pm/V。对极化饱和后的驰豫情况进行了分析,发现不同厚度薄膜的驰豫时间不同,这是由于薄膜中偶氮含量和厚度的不同,分子间的相互作用对顺反异构逆过程的快慢有较大的影响。