C60在几种溶剂中紫外吸光度的负热效应

所采用的变温光谱差减方法是将待测试样分成两份 ,一份作为参比试样 ,恒定在某一温度 (参比温度 )下 ,另一份作为待测样品 ,选定另一待观测温度 ,在一定的波长范围内 ,用岛津UV 2 4 0型紫外 可见双光束分光光度计扫描 ,获得紫外吸收温差光谱 (UVSDT)。选择不同的温度差 ,测得温差光谱随温差的变化。观测了C60 分子在乙醇、环己烷、正己烷、异丙醇等几种有机溶剂中吸光度随温度的变化。观测结果发现C60 溶液的吸光度变化存在显著的负温度效应。C60 的UV吸收光谱峰随试样温度升高而降低 ,UV吸收温差光谱 (U VSDT)为负峰 ,UVSDT峰强随温差增大而负向增大。说明C60 的结构对温度有较强的依赖关系。这种依赖关系与π π 电子跃迁类型密切相关。实时现场测量C60 溶液的吸光度随温度变化规律 ,对分离、纯化、分析富勒烯 ,认识C60 特性、研究以溶剂为媒介的化学反应机理 ,以及提高测量的准确度和重现性等 ,均有一定的理论意义和实用价值     

光热敏折变玻璃及其布拉格体光栅特性研究

采用高温二次化料的方法制备了一种SiO2-Al2O3-ZnO-Na2O(F、Br)玻璃体系的光热敏折变(PTR)玻璃,通过紫外曝光、透射率光谱、X射线衍射(XRD)和差热分析等方法研究了其光热敏析晶机理。研究表明,PTR玻璃的光敏区为280～350nm,工作区为400～2700nm,最佳成核温度和析晶温度分别为490℃和595℃,析晶组分为NaF晶体。采用双光束干涉方法与"两步法"的热处理工艺在PTR玻璃中制备了周期为1000mm-1的布拉格体光栅,光栅的相对衍射效率达到91%,并验证了制备的布拉格体光栅具有角选择滤波能力。     

W波段回旋行波管输入输出段的改进设计

在回旋行波放大器的设计中,输入输出段的性能直接影响到整管输出功率、效率及增益。设计了一种采用渐变过渡段的输入耦合器来减少电子注在前端的截获,而且略微地提高了耦合特性,有效带宽达到4.06 GHz。采用二级切比雪夫渐变波导作为输出结构的耦合输出段,从仿真结果得到,在整个工作频段内,该结构中TE01工作模式的反射低于-20 dB,TE01模向杂模TE02和TE03的耦合分别在-20 dB和-30 dB以下。     

First-principles study of electronic structure and ferromagnetism in Ti-doped ZnO

We perform first-principles spin polarized calculations of the electronic structure of Ti-doped in ZnO. Ferromagnetism in Ti-doped ZnO is identified, which is in agreement with recent experimental and calculated results. A net magnetic moment of 0.715μ_B is found per Ti. At a Ti concentration of 12.5%, total energy calculations show that the ferromagnetic state is 68 meV lower than the antiferromagnetic state. The electronic states near Fermi energy are dominated by strong hybridization between O 2p and Ti 3d, which is just the origin of impurity band in Ti-doped ZnO and also implies that the Ti-O bond is quite covalent instead of purely ionic. Since there is no magnetic element in this compound, Ti-doped ZnO appears to be an unambiguous dilute magnetic semiconductor.     

The effects of Si3N4 interlayer on the thermal stability and hardness of Ti/TiNx (x = 0.5-1) nanolayered coatings

The polycrystalline Ti/TiN_x multilayer films were deposited by magnetron sputtering, and the as-deposited multilayer coatings were annealed at 500-800 °C for 2-4 h in vacuum. We investigated the effects of annealing temperature and annealing time on the microstructural, interfacial, and mechanical properties of the polycrystalline Ti/TiN_x multilayer films. It was found that the hardness increased with annealing temperature. This hardness enhancement was probably caused by the preferred crystalline orientation TiN(1 1 1). The X-ray reflectivity measurements showed that the layer structure of the coatings could be maintained after annealing at 500 °C and the addition of the Si₃N₄ interlayer to Ti/TiN_x multilayer could improve the thermal stability to 800 °C.     

Searching for high-K isomers in the proton-rich A～80 mass region

Configuration-constrained potential-energy-surface calculations have been performed to investigate the K isomerism in the proton-rich A～ 80 mass region. An abundance of high-K states are predicted. These high-K states arise from two and four-quasi-particle excitations, with K~π= 8~+ and K~π= 16~+, respectively. Their excitation energies are comparatively low, making them good candidates for long-lived isomers. Since most nuclei under study are prolate spheroids in their ground states, the oblate shapes of the predicted high-K states may indicate a combination of K isomerism and shape isomerism.     

硅单粒子位移损伤多尺度模拟研究

本文结合分子动力学方法和动力学蒙特卡罗方法, 研究了单个粒子入射硅引起的位移损伤缺陷的产生和演化过程; 基于Shockley-Read-Hall理论计算了单个粒子入射引起的位移损伤缺陷导致的泄漏电流增加及其演化过程, 比较了缺陷退火因子与泄漏电流退火因子之间的差异, 并将计算结果与实验值进行了对比. 结果表明, 计算泄漏电流时, 仅考虑一种缺陷的情况下缺陷退火因子与泄漏电流退火因子相同, 考虑两种缺陷类型情况下二者在数值上有所区别, 但缺陷退火因子仍能在一定程度上反映泄漏电流的退火行为. 分子动力学模拟中采用Stillinger-Weber势函数和Tersoff势函数时缺陷退火因子和泄漏电流退火因子与实验结果一致, 基于Stillinger-Weber势函数的计算结果与实验值更为接近.