功能纳米结构的组装和物性调控

功能纳米结构的组装与物性调控是纳米电子器件前沿基础研究领域的重要问题.本文对我们实验室在纳米自组装结构和物性调控方面的主要研究进展进行介绍.对扫描隧道显微镜(STM)的成像机制和针尖功能化问题进行了研究和探讨.选用不同的策略和方法来实现功能分子在金属单晶基底上的可控自组装,形成各种自组装有序结构,通过磁性分子吸附构型的改变来实现对金属表面上单分子自旋态的量子调控.     

等离子体金属表面氮化中放电温度对氮原子态粒子的影响

采用快电子和重粒子(N₂⁺,N⁺,N_f)混合的Monte Carlo模型,研究了氮直流辉光放电等离子体金属表面氮化过程中.e-N_2s及N₂⁺-N_2s两种碰撞离解过程产生的原子态粒子(N⁺,N)的产生率和氮化粒子(N⁺,N_f)轰击靶表面的能量、粒子数密度及入射角分布随气体温度的变化规律.结果表明,使阴极靶处活性粒子(N⁺,N_f)的能量高且粒子数密度大,存在一个最佳放电温度;粒子(N⁺,N)的产生率及在靶表面的密度数都随着放电气体温度的升高而减少;有大量中性快原子N_f在工件表面小角入射,且粒子(N⁺,N_f)角分布受温度的影响很小.     

Adsorption geometry of glycine on Cu（001） determined with low—energy electron diffraction and scanning tunnelling microscopy

Using low-energy electron diffraction (LEED) and scanning tunnelling microscopy (STM) it has been found that glycine molecules adsorbed on Cu(001) can form but only the (2×4) and c(2×4) superstructures. On the basis of the missing LEED spots of the surface, it has been concluded that: each (2×4) unit cell consists of two molecules, one being the mirror image of the other; the C－C axis of both molecules lies in the mirror plane of the Cu substrate without a significant shift and twist from the plane; and the two O atoms of the carboxylate group of both molecules locate at the same height level without significant buckling. According to these conclusions, a structural model has been proposed for the (2×4) superstructure (a model for the c(2×4) superstructure already exists). We argue that the (2×4) and c(2×4) superstructures must have similar specific surface free energy, that their hydrogen bonds must be of N-H-O_II type, and that their local adsorption geometry must be similar or even the same. The advantage of combining STM with LEED to determine surface structures is clearly demonstrated.     

CO2在金属表面活化的能学方法研究

应用UBI-QEP方法, 估算了CO2-在金属表面的吸附热, 并计算了CO2在Cu(111)、Pd(111)、Fe(111)、Ni(111)表面的各种反应途径的活化能垒. 结果表明, CO2-在4种过渡金属表面相对的稳定性和CO2解离吸附的活性顺序一致,均为Fe>Ni>Cu>Pd. 说明CO2-可能是CO2解离吸附的关键中间体. 在Cu、Pd、Ni表面上, CO2解离吸附的最终产物是CO,而在Fe表面其最终会解离成C和O. 在Cu、Fe、Ni表面, CO2加氢活化是一种有效模式, 而在Pd上则不容易进行. 在Cu和Pd表面,碳酸盐物种也可能是CO2活化的重要中间体.     

有机杂环化合物在金属表面的化学及电化学聚合

介绍了2004年国家自然科学奖二等奖获奖项目“有机杂环化合物在金属表面的化学及电化学聚合”的主要科学内容、学术界的引用评述以及在学科发展、人才培养方面的成果。     

Recurrence Spectra of the Rydberg Hydrogen Atom near Two Parallel Metal Surfaces

Using closed orbit theory, we study the influence of the two parallel metal surfaces on the recurrence spectra of a hydrogen atom placed in the region between the two surfaces. The results show that the metal surfaces have significant effect on the photoabsorption process. Each resonance peak in the recurrence spectra is associated with one electronic closed orbit. In our work, we put the first metal surface at the critical value dc and vary the second metal surface. The results show that when the distances between the hydrogen atom and the two metal surfaces are close to the critical valuedc, the number of the closed orbits is the greatest and there are more peaks in the recurrence spectra. When the distance between the atom and the second metal surface is larger or smaller than dc, the number of the closed orbits decreases and there are fewer peaks in the recurrence spectra. The agreement between the semiclassical calculation spectra and the quantum calculation spectra suggests that our analysis is correct.     

利用二维光放大图像的显微镜

生物学家一直梦想着有一台高精度的摄像机能拍摄下小于光波波长的活细胞的图像．最近美国马里兰大学的Igor Smolyaninov教授领导的研究组显示了这方面的成果．科学家们以前就知道，当光照射在一块金属表面时，它可以激发出一种波，称为表面等离体子(plasmon)，它实际上是一种二维电磁波与导电电子耦合的光波，有时就称为二维光波．     

金属表面化学反应的直接观察

介绍了表面化学中对金属表面化学反应研究的新动态和最新进展。     

表面增强荧光研究进展

本文系统地介绍了金属表面增强荧光现象、产生机理及其应用.粗糙金属和超薄光滑金属表面均可表现出荧光增强效应,但这两种表面增强荧光产生的机理不同,所发出的荧光性质也不同.粗糙金属表面增强荧光的主要原因被认为是加快了处于基质表面附近的荧光物种的辐射衰减过程,而超薄光滑金属表面增强荧光则是激发态荧光物种与金属表面的等离子体耦合共振的结果.与粗糙金属表面增强荧光不同,超薄光滑金属表面增强荧光具有突出的方向性.金属表面增强荧光已经开始在DNA无损检测、荧光共振能量转移免疫分析等领域获得重要应用.     

C60吸附在金属表面的计算研究

用离散变分局域密度泛函方法研究了Ｃ６０在Ａｌ（１１１），Ｃｕ（１１１）和Ａｇ（１１１）表面的电子结构性质。Ｃ６０／金属界面系统通过用Ｃ２４Ｈ１２取代Ｃ６０和用１０个金属原子代表衬底来简化，计算了Ｃ６０在金属衬底上的吸附高度，吸附能量及两者之间的电荷转移，发现Ｃ６０与Ａｌ（１１１），Ｃｕ（１１１）和Ａｇ（１１１）表面通过共价键（其中混杂少量的离子键）相结合。