硼烷及其相关物

一八七六年的诺贝尔化学奖已经授予纯无机化学的研究,特别是硼烷的领域。我非常高兴并表示深切的感谢。我在这个领域中的方向,如同我的全部研究工作一样,是分子的化学行为与它的三维空间结构和电子结构之间的相互关系。用X-射线衍射的方法对硼烷分子结构的早期研究工作,给化学键的理论——区别于由原来的碳化学的典型理论而发展起来的化学键理论——奠定了一个可靠的基础,并对这类化合物多面体的性质,提供了一个满意的理解。这个原理被合成化学家采用,并帮助建立了一大片迄今还陌生的硼烷化学领域。由此证实了在周期表中位于与碳邻近的那个硼原子确实具有复杂的化学。     

PLE spectra analysis of the sub-structure in the absorption spectra of CdSeS quantum dots

The semiconductor CdSeS quantum dots (QDs) embedded in glass are analysed by means of absorption spectra, photoluminescence (PL) spectra and photoluminescence excitation (PLE) spectra. The peaks of absorption spectra shift to lower energies with the size of QD increasing, which obviously shows a quantum-size effect. Using the PLE spectra, the physical origin of the lowest absorption peak is analysed. In PLE spectra, the lowest absorption peak can be deconvoluted into two peaks that stem from the transitions of 1S_3/2--1S_e and 2S_3/2--1S_e respectively. The measured energy difference between the two peaks is found to decrease with the size of QD increasing, which agrees well with the theoretical calculation for the two transitions. The luminescence peak of defect states is also analysed by PLE spectra. Two transitions are present in the PLE, which indicates that the transitions of 1S_3/2--1S_e and 2S_3/2--1S_e are responsible for the defect states luminescence.     

Average Property of Isospin Effects Induced by Neutron-Halo Nuclei

We study the average property of the isospin effects of reaction mechanism induced by neutron-halo nuclei within the isospin-dependent quantum molecular dynamics model. We find that the extended neutron density distribution for the neutron-halo projectile brings an important isospin effect into the reaction mechanism, which induces the decrease of nuclear stopping R; however, it induces the obvious increases of the neutron-proton ratio of nucleon emissions （n/p）nucl for all of the beam energies in this work, compared to the same mass stable colliding system.     

Observation of β-Relaxation in Sub-Tg Isothermally Annealed Al-Based Metallic Glasses

Al85Ni5 Y8Ca2 and Al88Ni5 Y6Co2Fe2 metallic glasses are fabricated by melt spinning. A kink or a small exothermic peak is observed for both the samples isothermally annealed at sub-glass transition temperatures. Temperature modulated differential scanning calorimetry （TMDSC） data disapprove amorphous phase separation. The activation energies derived from Kissinger plots of the exothermic process on DSC curve around glass transition temperature are consistent with those of β-relaxation of metallic glasses.     

Microscopic mechanism of plasmon-mediated photocatalytic H2 splitting on Ag–Au alloy chain

Alloy nanostructures supporting localized surface plasmon resonances has been widely used as efficient photocatalysts, but the microscopic mechanism of alloy compositions enhancing the catalytic efficiency is still unclear. By using time-dependent density functional theory(TDDFT), we analyze the real-time reaction processes of plasmon-mediated H₂ splitting on linear Ag–Au alloy chains when exposed to femtosecond laser pulses. It is found that H₂ splitting rate depends on th...     

非PLL相位平均型参考线原型验证

射频相位参考线是粒子加速器的重要组成部分之一,为射频低电平控制系统(LLRF)、束流诊断系统、定时系统等提供稳定的相位锁定参考信号。为减少远距离传输过程中由环境温度变化导致的射频传输线中的射频相位漂移,多个加速器装置中已经采用射频相位参考线提供射频相位参考,这些相位参考的实现方案主要是基于恒温控制和基于光纤锁相。与这些方案相比,采用相位平均方法不仅可以保持长距离节点之间的相位稳定,而且更易于现场安装与维护。现有的带有锁相环(PLL)的终端短路方式实现相位平均参考线的方案仍有一些节点数量限制等方面的不足,本文对相位平均参考线结构进行了去除PLL的简化设计并进行了验证,以期增加更多的相位分配节点以及降低对射频器件参数的要求。对非PLL的单端输入终端短路相位平均方案与两端输入各节点间互为参考的相位平均方案分别进行了实验测试,结果表明两者的相位RMS精度可以达到0.1°~0.3°。并对不同的相位平均实现方案中相位不稳定的产生原因进行了分析,结果表明,除环境温度外,同轴线缆材质、合成相位与幅度的不平衡合成等也是重要影响因素。     

基于内乘波概念的TBCC进气道过渡模态研究

TBCC(涡轮基组合循环)在过渡模态的工作,是这种新型高速动力系统的关键问题。本文针对基于内乘波概念的内并联式TBCC进气道进行了其过渡模态流场的研究。首先,应用本团队自主提出的内乘波式进气道设计概念,提出一种新型TBCC进气道设计方案。然后,验证了其在设计马赫数4.0下实现全流量捕获,在模态转换时,分流板的分流是有效的。针对其在过渡模态马赫数2.5的性能,通过基于数值模拟的设计参数分析,发现在内参考收缩比为3.11时进气道流通面积合适可实现自起动、且综合性能较优。研究还发现,分流板偏转角度范围越小,分流段流动越好、通流出口总压恢复系数也越高。     

A Two-Dimensional Photonic Crystal Slab Mirror with Silicon on Insulator for Wavelength 1.3μm

A concrete two-dimensional photonic crystal slab with triangular lattice used as a mirror for the light at wavelength 1.3μm with a silicon-on-insulator （SOI） substrate is designed by the three-dimensional plane wave expansion method. For TE-like modes, the bandgap in the Г-K direction is from 1087nm to 1559nm. The central wavelength in the bandgap is about 1.3μm, hence the incident light at wavelength 1.3μm will be strongly reflected. Experimentally, such a photonic crystal slab is fabricated on an SOI substrate by the combination of EBL and ICP etching. The measurement of its transmission characteristics shows the bandgap edge in a longer wavelength is about 1540 nm. The little discrepancy between the experimental data and the theoretical values is mainly due to the size discrepancy of the fabricated air holes.     

1,3-双(1-苯基-1H-四唑-5-巯基)-乙酰苯腙钳形受体对卤素阴离子的识别机理

采用密度泛函B3LYP(Becke, three-parameter, Lee-Yang-Parr)和HF(Hatree-Fock)方法, 从理论上探讨了1,3-双(1-苯基-1H-四唑-5-巯基)-乙酰苯腙(DAPHZ)钳形受体对卤素阴离子的识别机理,结果发现DAPHZ受体以其钳形结构中的-N-H基团与卤素阴离子间形成双侧红移氢键进行识别. 经BSSE校正后DAPHZ•••F-, DAPHZ•••Cl-和DAPHZ•••Br-体系的分子识别相互作用能ΔECP分别为-327.5,-163.5和-148.3 kJmol-1, 说明钳形DAPHZ受体对F-具有最好的识别能力. 此外, 采用自然键轨道(NBO)计算, 相关H原子化学位移计算及分子中原子(AIM)等理论分析了识别体系中红移氢键的电子结构和性质, 结果表明APHZ受体对卤素阴离子的识别能力的相对顺序为DAPHZ•••F- >> DAPHZ•••Cl- ≈ DAPHZ•••Br-.