水溶性富勒醇的荧光特性及其与各种金属离子结合的研究

本文考察了C60 水溶性衍生物 富勒醇的荧光特性。观测到富勒醇的荧光自猝灭现象以及不同酸度对其荧光强度的影响。在 pH =6 5～ 7 5条件下 ,富勒醇的荧光发射最强 ,并以此为最佳酸度条件 ,详尽研究了富勒醇同各种金属离子的作用 ,发现金属离子Cu2 + ,Pb2 + ,Co2 + ,Fe2 + ,Fe3 + ,Al3 + ,Cr3 + 和Cr(Ⅵ )均能有效猝灭富勒醇的荧光。其中Cu2 + ,Fe2 + ,Fe3 + ,Al3 + 和Cr3 + 在猝灭富勒醇荧光的同时 ,还使富勒醇的荧光激发和发射峰发生不同程度的红移和蓝移 ,表明这五种金属离子与富勒醇之间同时形成了基态和激发态的络合物 ;而Pb2 + ,Co2 + 和Cr(Ⅵ )则只在激发态下同富勒醇发生作用。各金属离子与富勒醇的结合能力为 :Cu2 + >Fe2 + >Pb2 + >Co2 + ;Fe3 + >Al3 + >Cr(Ⅵ ) >Cr3 + ,同时估测了各金属离子与富勒醇的结合常数KA 及结合数n。     

Topological structure effect on far-infrared spectra in a GaAs/InAs nanoring

On the basis of the growth mechanism of a GaAs/InAs nanoring, we propose a fine model which reflects the confinement details of real nanoring. Through calculations of the two-electron energy and far-infrared (FIR) spectra, we find that the ring topological structure and electron-electron interaction have great influence on the FIR spectra. The two unknown transition peaks in the experiment are determined theoretically. The theoretical results are in good agreement with the experiments.     

Rotation of hydrogen molecules during the dissociative adsorption on the Mg(0001) surface: a first-principles study

Using first-principles calculations,we systematically study the potential energy surfaces and dissociation processes of the hydrogen molecule on the Mg(0001) surface.It is found that during the dissociative adsorption process with the minimum energy barrier,the hydrogen molecule first orients perpendicularly,and then rotates tobecome parallel to the surface.It is also found that the orientation of the hydrogen molecule in the transition state is neither perpendicular nor parallel to the surface.Most importantly,we find that the rotation causes a reduction of the calculated dissociation energy barrier for the hydrogen molecule.The underlying electronic mechanism for the rotation of the hydrogen molecule is also discussed in the paper.     

铜基体HVOF碳化物涂层的初步研究

超音速火焰喷涂(High Velocity Oxy-Fuel sprar—HvOF)是近20年来发展起来的新工艺，其火焰温度为3000K左右，喷涂粉末的速度为600～1200m／s，这解决了等离子喷涂温度过高和普通火焰喷涂粉末熔滴能量不够的问题，同时HVOF涂层更高的结合强度也使它在石化、制造、采矿等行业有着广泛的应用前景。     

Cu-4wt%Ti合金有序化X射线与电子衍射谱的计算机模拟

在点阵波理论基础上,通过假定Cu-4wt%Ti合金中溶质原子浓度的适当分布并建立与之相应的衍射波波幅表达式,利用计算机模拟得该合金调幅分解与有序化共存时X射线衍射边带形貌,其波形与实验结果颇为相近;进一步根据波的叠加原理在两相互垂直方向上对上述衍射形貌合成,获得Cu-4wt%Ti合金400℃时效较长时间同时出现的D1a型和B2型复杂有序化超点阵斑,其强度与位置分布均与透射电镜(TEM)衍射谱完全一致. 关键词：