Characterization of the SiOT Angle and Cation Effects on 29Si Chemical Shifts Of Zeolites

The quantitative relationships between ²⁹Si chemical shifts and (a) the SiOT (T = Al or Si) angles and (b) the nature of the cations of the alkali forms of zeolites can be account for by the changes of charge density and p electron population of the Si atoms as calculated by the extended Hückel method on cluster models.     

类锂硅离子能级结构及软X射线激光光谱理论计算

本文采用Hartree-Fock自洽场方法,从理论上计算出类锂硅离子1s~2nl(n=2～7,l=0～5)各能级能量,并给出在极紫外(波长小于400(?))范围内各跃迁谱线的光谱性质、波长、振子强度和跃迁几率.对实验中已实现软X射线激光的跃迁(5d-3p,5f-3d,6d-3p,6f-3d),计算所得的跃迁波长与实验值完全相符.与现有文献的波长比较,相对误差不超过1%.     

Fusion cross section for the system6Li+28Si atE ∼ 36 MeV

The fusion cross section for the system⁶Li+²⁸Si has been measured atE∼36 MeV. Combining this with the data available at lower energies, the nucleus-nucleus real potentials have been determined for a range of interaction distances.     

Characterization of degradation products of poly[(3,3,3-trifluoropropyl)methylsiloxane] by nuclear magnetic resonance spectroscopy, mass spectrometry and gas chromatography

Poly[(3,3,3-trifluoropropyl)methylsiloxane] (PTFPMS) was treated with the solvents acetone, ethyl acetate and methanol and its degradation products were analyzed with multiple techniques. ¹H, ²⁹Si and ¹⁹F nuclear magnetic resonance (NMR) spectroscopy were useful for the characterization of the intact polymers and for the determination of cyclosiloxanes. Cyclosiloxanes with a ring size of up to 23 were quantified by gas chromatography. The only degradation products found were TFPmethyl-cyclosiloxanes. 1,3,5,7-Tetrakis(TFPmethyl)-cyclotetrasiloxane was predominant, and (TFPmethyl)cyclotri-, penta- and hexasiloxane could be detected at lower concentrations. The identity of cyclic degradation products with a ring size of up to 6 was unambiguously confirmed by direct infusion mass spectrometry. The TFPmethyl-cyclosiloxanes were successfully ionized by electrospray ionization in the negative mode. None of the techniques applied gave hints to other degradation products such as short linear oligomers. Almost complete degradation of PTFPMS occurred in acetone and methanol, while degradation is distinctly reduced in ethyl acetate.     

利用Taguchi法以高岭土为原料制备高硅NaY分子筛

采用Taguchi试验方法优化出了以高岭土为原料制备高硅NaY分子筛的最佳合成参数,考察了硅溶胶的加入量、反应体系的碱度、加水量以及晶化时间对NaY分子筛硅铝比和结晶度的影响。结果表明,高硅NaY分子筛的最佳合成条件是：反应体系各组分的物质的量比为7.5SiO₂∶1.0Al₂O₃∶2.2Na₂O∶120H₂O,晶化时间为16 h。同时发现,对合成样品性能的影响最为显著的因素是硅溶胶的加入量和碱度。采用X射线衍射、N₂静态容量吸附法和扫描电镜对利用最佳条件所合成样品的硅铝比、比表面积、孔分布以及表观形貌进行了表征。结果显示,以高岭土原料制备的NaY分子筛比参考样品拥有更高的硅铝比和更大的比表面积。     

Ca10(Si2O7)3Cl2:Eu2+Mn2+单-基质白光荧光粉的发光性质

用高温固相法合成了颜色可调的Ca10(Si2O7)3Cl2:Eu2+Mn2+荧光粉.研究了它的发光性质和Eu2+与Mn2+之间的能量传递.Eu2+离子在Ca10(Si2O7)3Cl2晶体中形成了峰值为426 nm和523 nm的5d→4f跃迁发光,Eu2+中心向Mn2+中心传递能量,敏化Mn2+离子4T1(4G)-6A1(6S)跃迁而产生585 nm的黄光发射.黄绿蓝3个发射带叠加在单一基质中实现了白光发射.3个发射带的激发谱范围位于250-480 nm处,Ca10(Si2O7)3Cl2:Eu2+Mn2+在紫外-近紫外波段(350～410 nm)范围内有很强的激发,是一种适合InGaN管芯激发的单一基质白光LED荧光粉.     

笼形倍半硅氧烷NMR的研究

笼形倍半硅氧烷是一类典型的多面体有机-无机分子复合物. ²⁹Si NMR是测定这类含硅化合物结构的有效方法. 利用²⁹Si NMR对6种笼形八聚倍半硅氧烷的结构进行了研究,结合所得数据探讨了这类化合物中取代基电负性对²⁹Si NMR化学位移的影响.根据¹H,¹³C NMR数据及各峰归属可以进一步判断笼形倍半硅氧烷取代基R的类型和结构.     

$lt;i$gt;γ$lt;/i$gt;射线总剂量辐照效应对应变Sip型金属氧化物半导体场效应晶体管阈值电压与跨导的影响研究

分析了双轴应变Si p型金属氧化物半导体场效应晶体管(PMOSFET)在γ射线辐照下载流子的微观输运过程, 揭示了γ射线的作用机理及器件电学特性随辐照总剂量的演化规律, 建立了总剂量辐照条件下的双轴应变Si PMOSFET 阈值电压与跨导等电学特性模型, 并对其进行了模拟仿真. 由仿真结果可知, 阈值电压的绝对值会随着辐照总剂量的积累而增加, 辐照总剂量较低时阈值电压的变化与总剂量基本呈线性关系, 高剂量时趋于饱和; 辐照产生的陷阱电荷增加了沟道区载流子之间的碰撞概率, 导致了沟道载流子迁移率的退化以及跨导的降低. 在此基础上, 进行实验验证, 测试结果表明实验数据与仿真结果基本相符, 为双轴应变Si PMOSFET辐照可靠性的研究和应变集成电路的应用与推广提供了理论依据和实践基础. 关键词： 应变Sip型金属氧化物半导体场效应晶体管 总剂量辐照 阈值电压 跨导