铁杂环戊二烯配合物的结构稳定性

采用谱学和X射线单晶衍射技术, 分别对四苯基铁杂环戊二烯羰基铁配合物(μ₂, η⁴-C₄Ph₄)Fe₂(CO)₆(1)和四苯基取代环戊二烯酮(Ph₄C₄CO)(2)的晶体结构进行了分析和表征。在太阳光和氙灯光(带有4种滤光片)的照射下, 利用红外吸收光谱, 详细地考察了配合物1的光分解过程和分解产物。实验结果表明, 配合物1的光分解速率与光源和波长有关, 太阳光的光解速率最快;在同一氙灯光源下, 全波长滤光片(320~780 nm)的光解速率最快。本文还对配合物1的热分解和溴分解反应进行了对比研究, 结果证实, 3种分解反应的主要产物均为配体2。     

H2对Ar稀释SiH4等离子体CVD制备多晶硅薄膜的影响

以SiH4,Ar和H2为反应气体,采用射频等离子体化学气相沉积方法在300℃下制备了低温多晶Si薄膜.实验发现,反应气体中H2的比例是影响薄膜结晶质量的重要因素,在适量的H2比例下制备的多晶Si薄膜具有结晶相体积分数高,氢含量低,生长速率快、抗杂质污染等特性.     

非晶Ti3Al合金的变形晶化机理的原子模拟

利用分子动力学方法研究了非晶Ti₃Al合金拉伸过程中的晶化行为，模拟结果表明局部塑性变形导致非晶合金晶化.从微观结构演化的角度分析了拉伸过程中的晶化机理，局部剪切导致拉伸过程中晶粒发生成核与合并，最终生成的晶粒具有面心立方结构.晶核的生长过程伴随着应力强化现象，非晶相中的纳米晶粒能提高非晶合金材料的强度. 关键词： 非晶合金 变形晶化 分子动力学     

非晶Ti3Al合金的变形晶化机理的原子模拟

利用分子动力学方法研究了非晶Ti3Al合金拉伸过程中的晶化行为,模拟结果表明局部塑性变形导致非晶合金晶化.从微观结构演化的角度分析了拉伸过程中的晶化机理,局部剪切导致拉伸过程中晶粒发生成核与合并,最终生成的晶粒具有面心立方结构.晶核的生长过程伴随着应力强化现象,非晶相中的纳米晶粒能提高非晶合金材料的强度.     

Charge Ordering Due to Antiferromagnetic Correlation in Quarter-Filled Manganites

In the present paper, we study the zero-temperature phase diagram of the doped perovskite manganites at filling $x=0.5$ by the real-space Hartree-Fock approximation method. Our purpose is to resolve a controversial issue arising recently on the origin of the charge ordered phases in these systems. We find that the antiferromagnetic superexchange interaction between the localized spins plays the central role in producing the concerned phases. Our results confirm some speculations on this issue.     

新型光离子化检测器的设计与应用

将自行研制的PID光离子化检测器安装于气相色谱仪上,无需复杂的样品前处理,便可快速分析环境中的苯系物、醛类等物质.概述了此检测器的基本原理,详细介绍了其结构、电路系统的设计及性能测试结果.采用喷嘴与电极一体化的设计理念,使电离室的体积缩小到30 μ L,灵敏度提高,同时易于加工；微电流放大器的设计选用低噪声、低温漂的精...     

Study on the Supramolecular Interactions of p-Sulfonated Calix[4, 6, 8]arenes with Lomefloxacin

The supramolecular interactions between a homologous series of p-sulfonated calix[n]arenes (SCnA, n = 4, 6, 8) as hosts and lomefloxacin (LFLX) were studied by spectrofluorometry. LFLX was found to react with SCnA to produce stable complexes. The fluorescence intensity of the complexes decreased gradually with increasing SCnA concentration. The formation of complexes was further confirmed by ¹H NMR studies and molecular modeling calculations. Data of the stability constants and thermodynamic parameters of the obtained complex showed that the stability of the SC8A-LFLX complex is superior to that of SC6A-LFLX and SC4A-LFLX. A mechanism was proposed to explain the inclusion process.     

He离子辐照6H-SiC引入缺陷的光谱研究

实验采用300 keV的He²⁺辐照6H-SiC,辐照温度分别为室温,450,600和750 ℃,辐照剂量范围为1×10¹⁵–1×10¹⁷ cm^-2,辐照完成后对样品进行拉曼散射和紫外可见透射光谱测试与研究. 这两种分析方法的实验结果表明,He离子辐照产生的缺陷以及缺陷的恢复与辐照剂量和辐照温度有着直接关系. 室温下辐照会使晶体出现非晶化,体现在拉曼特征峰消失,相对拉曼强度达到饱和(同时出现了较强的Si-Si峰);高温下辐照伴随着晶体缺陷的恢复过程,当氦泡未存在时,高温辐照很容易导致Frenkel对、缺陷团簇等缺陷恢复,当氦泡存在时,氦泡会抑制缺陷恢复,体现在相对拉曼强度和相对吸收系数曲线斜率的变化趋势上. 本文重点讨论了高温辐照情况下氦泡对缺陷聚集与恢复的影响,并与高温下硅离子辐照碳化硅结果进行了对比. 关键词： 6H-SiC 氦泡 拉曼散射光谱 紫外可见透射光谱     

Ferromagnetism in one-dimensional Hubbard model induced by the next-nearest-neighbor hopping at electron density 3/2

Ferromagnetism in the one-dimensional Hubbard model with the next-nearest-neighbor hopping is explored by using the exact-diagonalization method in a small cluster and the equation-of-motion method in the thermodynamic limit with electron density n = 3/2. With these two complementary methods, it is found that an intermediate value of the next-nearest- neighbor hopping amplitude tl tends to stabilize the fully polarized ferromagnetic state under the condition that the on-site coulomb interaction U is sufficiently large in our model. The ground-state phase diagram of the model is presented in the tl-U plane.