四苯基卟啉及其金属配合物在溴化银胶体上的表面增强喇曼光谱研究

研究了四苯基卟啉（H2TPP）及其金属配合物（AgTPP和MgTPP）在AgBr胶体上的表面增强喇曼光谱（SERS）。SERS光谱表明,吸附在ArBr胶体粒子表面的MgTPP和H2TPP分子分别发生银离子交换和银配位反应生成AgTPP,这种表面反应可能与激光照射有关。AgTPP分子在胶体粒表面的吸附导致卟啉大环的非平面化,使v8振动（M－N键伸缩振动）向高波数方向移动近10cm^-1。632.8nm激发下的表面喇曼谱以化学增强为主,而488.0nm激发下表面喇曼谱除化学增强效应外,还存在共振增强效应。     

微合金化元素对Fe—A1界面结合的第一性原理研究

利用第一性原理中的DFT理论研究了Fe／A1界面的能量学和电子结构，讨论了替位型掺杂的元素Zn、Mn、Ni在Fe／A1界面处的作用．结果表明：元素Zn、Mn、Ni都会优先替换界面处的Fe原子，使得界面结合能增加，体系更稳定，有利于界面的结合；跨界面的Fe原子与Al原子之间的电荷布居、键长以及差分电荷密度图的计算表明：掺杂后有利于跨界面的Fe-Al间成键，从而加强了Al层与Fe基体的结合，且结合强度由强到弱依次为：掺Zn〉掺Mn〉掺Ni；与实验比较吻合．最后对掺杂Zn的增韧机理加以解释．     

A study on the real-time radiation dosimetry measurement system based on optically stimulated luminescence

The optically stimulated luminescent (OSL) radiation dosimeter technically surveys a wide dynamic measurement range and a high sensitivity.Optical fiber dosimeters provide capability for remote monitoring of the radiation in the locations which are difficult-to-acoess and hazardous.In addition.optical fiber dosimeters are immune to electrical and radio-frequency interference.In this paper,a novel remote optical fiber radiation dosimeter is described.The optical fiber dosimeter takes advantage of the charge trapping materials CaS:Ce, Sm that exhibit OSL.The measuring range of the dosimeter is from 0.1 to 100 Gy.The equipment is relatively simple and small in size,and has low power consumption.This device is suitable for measuring the space radiation dose and also can be used in high radiation dose condition and other dangerous radiation occasions.     

Average kinetic energy of ions ejected from pure Coulomb explosions of methane clusters

We use an electrostatic model to study the average kinetic energy of ions ejected from the pure Coulomb explosions of methane clusters (CA4)n (light atom A=H and D). It is found that the ratio of the average kinetic energy of the ions to their initial average electrostatic potential energy is irrelevant to the cluster size. This finding implies that as long as the ratio is given, the average kinetic energies of the ions can be simply estimated from their initial average electrostatic potential energies, rather than from the time- consuming simulations. The ratios for the different charge states of carbon ions are presented.     

人工调控微结构压电驻极体的热稳定性和电荷动态特性

利用表面带有周期性结构的硬质模板,通过冷压工艺将周期结构图案复制到多孔聚四氟乙烯(PTFE)薄膜表面,再经过热黏合工艺与致密氟化乙丙烯共聚物(FEP)薄膜复合,制备出了高度有序的微孔结构复合膜,并用电晕充电的方法对复合膜进行极化处理,最终获得氟聚合物复合膜压电驻极体.借助对这类复合膜压电驻极体介电谐振谱的测量,得到了材料的杨氏模量.并利用等温热老化工艺对它们的压电系数d33的热稳定性进行了考察.最后通过短路热刺激放电谱的测量和分析,讨论了该复合膜在热老化处理后的电荷动态 关键词： 有序结构 压电驻极体 压电性 电荷动态特性     

Electronic and mechanical properties of ZnS nanowires with different surface adsorptions

We investigate the energetic, electronic, and mechanical properties of the pristine, hydrogen, and water adsorbed ZnS nanowires using the all-electron density functional theory. We found that water adsorption is energetically favorable and makes the band gap change from indirect to direct for the smallest nanowire. The Young's moduli of the pristine and water adsorbed nanowires are larger, but those of the hydrogen adsorption nanowires are smaller than that of bulk ZnS. The physical origin of the different tendencies can be attributed to the different surface relaxations of three kinds of ZnS nanowires.     

氢离子与里德伯原子碰撞中的电荷转移过程

应用双中心原子轨道强耦合方法研究了H⁺与里德伯态原子Li（5d）碰撞的电荷转移过程,计算了电子转移到氢原子各个n,l壳层（这里n为主量子数,l为角量子数）的态选择截面.结果发现,电荷转移的末态主要分布在与初态电子能量5d接近的n=4—7能级,该分布随碰撞能量的变化不大;但俘获末态的l分布对入射离子能量很敏感：在1 keV左右的低能时主要分布在高l的末态,随着碰撞能量增加峰值逐渐向低l方向移动,并在l= 关键词： 电子俘获过程 双中心原子轨道强耦合方法 态选择截面     

Engineering and characterization of mesoporous silica-coated magnetic particles for mercury removal from industrial effluents

Mesoporous silica coatings were synthesized on dense liquid silica-coated magnetite particles using cetyl-trimethyl-ammonium chloride (CTAC) as molecular templates, followed by sol-gel process. A specific surface area of the synthesized particles as high as 150 m²/g was obtained. After functionalization with mercapto-propyl-trimethoxy-silane (MPTS) through silanation reaction, the particles exhibited high affinity of mercury in aqueous solutions. Atomic force microscopy (AFM), zeta potential measurement, thermal gravimetric analysis (TGA), analytical transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS) and atomic absorption spectroscopy (AAS) were used to characterize the synthesis processes, surface functionalization, and mercury adsorption on the synthesized magnetite particles. The loading capacity of the particles for mercury was determined to be as high as 14 mg/g at pH 2. A unique feature of strong magnetism of the synthesized nanocomposite particles makes the subsequent separation of the magnetic sorbents from complex multiphase suspensions convenient and effective.     

含咔唑与偶氮分散红共聚物的表面增强共振拉曼光谱研究

借助于表面增强共振拉曼光谱散射(SERRS)技术,研究了一种新型的偶氮聚合物材料侧链含咔唑与偶氮分散红共聚物(CAP)在化学沉积法制备的银膜表面的拉曼峰增强和吸附行为。实验结果显示,CAP在银表面的状态为: 聚合物通过咔唑单体中咔唑基团和偶氮单体中硝基与银膜衬底发生物理吸附,而聚合物的主链与衬底相距较远没有相互作用。可以推测,聚合物在衬底表面的这种状态将对偶氮光存储器件的稳定性和工作效率产生不良影响。     

Performance of a double sided silicon strip detector as a transmission detector for heavy ions

The performance of a double sided silicon strip detector （DSSSD）, which is used for the position and energy detection of heavy ions, is reported. The analysis shows that although the incomplete charge collection （ICC） and charge sharing （CS） effects of the DSSSD give rise to a loss of energy resolution, the position information is recorded without ambiguity. Representations of ICC/CS events in the energy spectra are shown and their origins are confirmed by correlation analysis of the spectra from both the junction side and ohmic side of the DSSSD.