金属纳米结构表面吸附的CO分子在外电场中的相互作用

建立金属纳米颗粒在外电场中的排列结构模型，用经典理论分析纳米结构金属表面上吸附的CO分子在外电场中的相互作用能，包括有效偶极子间的相互作用和与局域电场的相互作用，并讨论和计算了纳米颗粒表面附近的局域电场. 用Monte-Carlo方法进行数值计算和模拟，具体给出纳米颗粒表面CO分子的分布和相互作用能，表明金属表面纳米结构使CO产生凝聚，并使分子相互作用能增加，为解释异常红外吸收效应提供依据. 关键词： 纳米结构金属 吸附分子 相互作用 局域电场     

Local electric field and configuration of CO molecules adsorbed on a nanostructured surface with nanocones

Based on the nanostructured surface model that the (platinum, Pt) nanocones grow out symmetrically from a plane substrate, the local electric field near the conical nanoparticle surface is computed and discussed. On the basis of these results, the adsorbed CO molecules are modelled as dipoles, and three kinds of interactions, i.e. interactions between dipoles and local electric field, between dipoles and dipoles, as well as between dipoles and nanostructured substrate, are taken into account. The spatial configuration of CO molecules adsorbed on the nanocone surface is then given by Monte-Carlo simulation. Our results show that the CO molecules adsorbed on the nanocone surface cause local agglomeration under the action of an external electric field, and this agglomeration becomes more compact with decreasing conical angle, which results in a stronger interaction among molecules. These results serve as a basis for explaining abnormal phenomena such as the abnormal infrared effect (AIRE), which was found when CO molecules were adsorbed on the nanostructured transition-metal surface.     

Effect of aspect ratio on the inter-surface plasmonic coupling of tubular gold nanoparticle

A theoretical study based on discrete dipole approximation (DDA) and coupling effect is presented on the tunable transverse surface plasmon resonance (SPR) in a gold nanotube with varying aspect ratio (AR). Because gold nanotube has the shape features from both rod and shell, both the AR and wall thickness can greatly affect the transverse SPR. It is observed that the maximum red shift can be obtained with small wall thickness and AR. By calculating the local field distribution, the physical mechanism of this multi shape factors controlled plasmon shifting has been illustrated by the coulombic interaction from the charges at the interfaces of gold nanotube. This study indicates that finding the surface charge distribution by calculating the local electric field can be used as an effective method to analyze the plasmonic characters in complicated metallic nanostructure.     

金属纳米锥表面吸附分子分布的数值模拟

在均匀外电场中,将吸附在由过渡金属基底生长的纳米锥颗粒表面的CO分子等效为偶极子,在考虑偶极子与局域电场,偶极子之间色散力及偶极子与锥表面原子之间三种相互作用的情况下,给出各相互作用能的数学模型,并用Monte Carlo方法进行数值模拟,得到纳米锥颗粒表面吸附CO分子的空间分布构型.结果表明,在这些相互作用下,纳米锥表面吸附CO分子产生局部凝聚,且随着纳米锥角的变小,吸附在锥顶部的分子更加密集,导致吸附分子间相互作用更强,为解释纳米结构表面吸附体系的异常红外效应提供依据.     

金属纳米球-纳米圆盘结构中表面等离激元共振模式的电磁场增强研究

表面等离激元自诞生以来已有一百多年的历史,并逐渐形成了一门新的学科——表面等离激元光子学.位于金属纳米结构中的局域表面等离激元可产生非常显著的近表面电场增强,并成功应用于诸多研究领域当中,而对局域表面等离激元与外界入射光中磁场的相互作用的研究则相对较少.该研究在前期已有的研究基础之上模拟计算了金属纳米球-纳米圆盘结构间...     

Partial electrical potential distribution around nanospheres in metallic nanostructured films

In light of the nanostructured surface model, where half-spherical nanoparticles grow out symmetrically from a plane metallic film, the mathematical model for the partial electrical potential around nanospheres is developed when a uniform external electric field is applied. On the basis of these models, the three-dimensional spatial distribution of the partial electrical potential is obtained and given in the form of a curved surface using a numerical computation method. Our results show that the electrical potential distribution around the nanospheres exhibits an obvious geometrical symmetry. These results could serve as a reference for investigating many abnormal phenomena such as abnormal infrared effects, which are found when CO molecules are adsorbed on the surface of nanostructured transition metals.     

金属纳米椭球结构表面的局域电场和吸附分子分布

过渡金属纳米结构表面吸附CO分子时会出现异常红外效应,这一现象可以用纳米结构表面吸附分子在外电场作用下产生局部凝聚从而相互作用能增加来解释.在前期研究的基础上,给出金属基底表面生长出的纳米颗粒为椭球状颗粒的理论计算结果.基于均匀外电场中金属纳米椭球颗粒按一定对称性排列的表面结构模型,用经典电磁学理论计算了纳米椭球颗粒表面附近的局域电场.在此基础上,将吸附的CO分子等效为偶极子,在考虑了偶极子与局域电场、偶极子之间以及偶极子与金属基底三种相互作用的情况下,用Monte-Carlo方法进行数值模拟,最后给出纳 关键词： 金属纳米结构表面 纳米椭球 吸附分子 局域电场     

径向偏振光束激发的金属纳米球-纳米圆盘间隙模式等离激元共振光谱特性研究

提出了一种可用于表面增强拉曼测量的基于金属纳米圆盘上方放置金属纳米球颗粒构成的金属纳米结构，其在径向偏振光束激发下，由于金属纳米圆盘的呼吸模式表面等离激元共振的作用，可以形成纵向电场有效增强的间隙模式等离激元共振。对此进行了有限元模拟计算研究，计算结果证明该间隙模式的纵向电场分量相对于径向偏振入射光的有效激发横向电场分量增强了100倍以上。为了更清晰地展现这种新型纳米结构的光谱特性以及表面电场分布特征，同时对单个金属纳米圆盘，单个金属纳米球，金属薄膜，金属纳米球-金属薄膜这几种纳米结构在同一个模拟计算框架下进行了计算以及比较分析。由于可以把金属纳米球类比为金属探针的尖端，所提出的新型间隙模式也有望在针尖型拉曼增强中得到应用。     

TEA CO2激光器预电离结构电极系统的电场研究

 高功率气体激光器的非对称复杂电极系统中,电极参数的变化以及预电离结构的引入将会使所设计的均匀电场发生具体的改变。采用高精度有限元方法,对这类复杂电极系统进行建模并且计算其电场分布,根据分析结果更合理地指导激光器设计。对一种典型的非对称复杂电极系统TEA CO₂激光器,应用该方法并结合了预电离过程,研究了引入预电离器导体和变化电极形状对电极表面的电场强度起伏和放电空间的均匀电场面积产生的影响。结果表明:通过这种预先模拟,合理选择电极构型参数和预电离结构安装位置,可以产生性质较好的均匀电场以及效率较高的激光输出。     

偏振方向及结构间耦合作用对空心方形银纳米结构表面等离子体共振的影响

空心方形纳米结构能够激发更大面积的增强电场,故其可以作为衬底用于表面增强拉曼散射.应用离散偶极子近似算法研究了空心方形银纳米结构的消光光谱及其近场电场分布与入射光偏振方向之间的关系.研究表明,空心方形银纳米结构的表面等离子体共振峰不随入射光偏振方向的改变而移动,但是其表面增强电场分布却强烈地依赖于入射光的偏振方向.另外,还讨论了空心方形银纳米结构间的耦合作用对其表面等离子体共振模式的影响.结果发现,可以通过调节结构间的距离来改变结构间的耦合作用,同时改变了表面等离子体共振峰的位置.这些结果将为理解闭合纳米 关键词： 空心方形银纳米结构 表面等离子体 偏振 电场耦合     

十字形银纳米结构的表面等离子体光子学性质

本文应用离散偶极子近似方法计算了十字形银纳米结构的消光光谱及其近场电场强度分布. 研究表明相比于单根纳米棒, 十字形纳米结构能够提供更强的表面电场; 由于相邻凸起间的电场耦合作用, 当入射光的偏振方向改变时, 在十字形纳米结构的侧表面总能激发出较强的电场.另外, 本文还系统地研究了十字形纳米结构的形貌参数对其表面等离子体共振峰的影响. 这些结果将会指导十字形纳米结构的制备, 以满足其在表面增强拉曼散射中的应用.     

Local Surface-Plasmons in Nonspherical Metal Nanoparticles

When a small metallic nanoparticle.is irradiated by incident light, the oscillating electric field can cause the conduction electrons to oscillate coherently, which excites the local surface plasmons （LSPs）. As is well known, excited LSPs can gather the energy of incident light to the surface of metallic nanoparticle. Recently, some nonspherical particles, e.g. tetrahedron, are suggested to obtain stronger localized electric field. We employ the discrete dipole approximation method to calculate the optical response of the tetrahedron nanoparticle, including the extinction and distribution of the electric field around the particle. The influences of some parameters, including the nanoparticle size, incident direction and polarization, are investigated to analyse the response modes and to obtain stronger localized electric field.     

Effect of Media on the Electric Field of a Rhombic Nanostructure Array

Electric field distribution is an important parameter for nanostructure arrays in nanobiosensing appfications. It can influence the sensitivity and the resolution of nanobiosensors. We focus on the effect of media on the electric field distribution of a rhombic silver nanostructure array. The finite-difference time-domain algorithm- based numerical calculation method is used to monitor the electric field distribution of the silver nanostructures when the refractive index of the medium around the nanostructure array is changed. The calculated results show that tuning the refractive index of the medium around silver can have a considerable influence on the electric field distribution in the reflection and transmission directions. This effect can be used to increase the extinction efficiency and to improve the resolution of the spectra for nanobiosensing.     

内嵌圆饼空心方形银纳米结构的光学性质

采用离散偶极子近似方法计算了内嵌圆饼空心方形银纳米结构的消光光谱以及其近场的电场强度分布,并进一步与空心方形纳米结构的消光光谱和表面电场做比较.结果表明,在耦合作用下内嵌圆饼空心方形银纳米结构不仅产生了新的共振模式,而且新的共振模式在传统表面增强拉曼散射的激发波长范围内,进而可以弥补由于实验上运用纳米切片法所制备的空心方形纳米结构尺寸较大导致其共振吸收峰在远红外波长范围的不足.此外,可以通过改变内嵌圆饼空心方形银纳米结构的形貌参数调节其表面等离子体共振峰的共振波长,以满足在表面增强拉曼散射、生物分子或化学分子探测上的应用.     

Band-structure modulation in carbon nanotube T junctions

We show that the band structure of metallic carbon nanotubes can be dramatically altered by the local electrostatic field. This is realized by coupling chemically functionalized nanotubes to form T junctions. The bar of the T is the conducting channel and the leg of the T is used for local gating. Transport measurements reveal that an energy gap develops upon application of a local electric field in both devices with or without linker molecules at the junction. We propose that the mechanism of the band gap modulation in the T junctions without linker molecules is the field effect, with the linker molecules introducing additional electromechanical and chemical effects.     

Plasmonic properties of two-dimensional metallic nanoholes fabricated by focused ion beam lithography

Plasmonic metallic nanoholes are widely used to focus or image in the nanoscale field. In this article, we present the results of the design, fabrication, and plasmonic properties of a two-dimensional metallic pentagram nanohole array. The nanoholes can excite the extraordinary transmission phenomenon. We used the finite-difference time-domain method to design the transmission and the localized surface plasmon resonance electric field distribution in the near field. The focused ion beam method was used to fabricate the nanoholes. The transmittance in the far field was measured by a scanning spectrophotometer. The difference between the design and the experimental results may be caused by the conversion between the near field and the far field. The near field electric field distribution on the surface plasmonic nanoholes was measured by a near-field scanning optical microscope. From our results, we found that the maximum transmission of the nanoholes is 2.4. Therefore, our plasmonic nanohole can significantly enhance the transmission by exciting the plasmonic phenomenon on the surface of the nanostructures.     

Surface effect on free transverse vibrations and dynamic instability of current-carrying nanowires in the presence of a longitudinal magnetic field

Free transverse vibration and instability of current-carrying nanowires immersed in a longitudinal magnetic field are of concern. On the basis of the surface elasticity theory, a model is developed to investigate the problem. The analytical expressions of dynamic transverse displacements as well as natural frequencies of the magnetically affected nanowire for carrying electric current are obtained. The influences of the surface effect, initial tensile force within the nanowire, strength of the longitudinal magnetic field, and electric current on the natural frequencies as well as dynamic displacements are examined. The obtained results reveal that the transverse stiffness of the nanostructure is enhanced by the surface effect and the initial tensile force, while electric current or longitudinal magnetic field reduces the nanowire's stiffness. The condition which leads to the dynamic instability of the nanostructure is obtained. Further, the roles of the influential parameters on its stability are inclusively discussed.     

Ag-Al纳米球二聚体的光学性质研究

金属纳米材料因其表面等离子体共振特性而备受关注。异质结构的金属纳米材料的光学特性相比于同质结构因其材料的不同破坏了原有结构的对称性,对称性的破坏将引起光学性质的改变,相邻两个颗粒之间的相互作用会产生Fano共振。Fano共振是由异质纳米结构的表面等离子体共振耦合引起的,通过合理地调控表面等离子体共振的耦合,将进一步调控Fano共振的强度同时促使异质结构的电场增强特性和辐射特性得到进一步优化。受金银等贵金属的带间跃迁影响,金属铝纳米材料成为研究紫外-近紫外光区的表面等离子体共振研究最佳选择。采用有限时域差分方法研究了Ag-Al纳米球二聚体的光学特性。研究了Ag和Al纳米球组成的二聚体的吸收光谱与入射光偏振方向、纳米球半径、颗粒间距和介质折射率等几何结构及物理参数的关系,并深入讨论了二聚体的局域场分布规律;讨论了获取更高效的Fano共振光谱的方法。由于材料的对称性被破坏,异质二聚体的光学性质与同质二聚体明显不同,Ag-Al异质纳米球二聚体呈现出在紫外和可见光区的双Fano共振现象。Ag-Al二聚体表面等离子体互相耦合引起Fano共振从而导致表面等离子体的共振抑制和增强。研究结果对在紫外-可见光区的表面等离子体应用、纳米光学器件的设计与开发及基于表面等离子体共振的表面增强光谱、生物传感和检测研究等有一定参考价值。     

外电场对CO分子及离子性质的调制和降解

基于密度泛函理论(DFT)的B3LYP方法,在6-311G++基组水平上,计算研究外加电场下CO分子及离子物理性质,包括总能量、键长、电荷分布、能级分布和红外光谱,并根据势能曲线研究CO外加电场下的降解。随着外电场逐渐增大(- 0.015 a. u.~0.015 a. u.),CO的性质发生明显的变化, 电场增大到一定程度时可实现CO分子降解。同样,CO⁺离子的总能量随电场的增大逐渐减小,键长变长,偶极矩逐渐变大,分子能隙在Alpha轨道中逐渐减小,在Beta轨道中逐渐增大,红外光谱的强度相应逐渐增大。电场从0.0 a. u增大到0.150 a. u.时,势能曲线的变化同样表明CO⁺离子离解能减小。电场增大到一定程度时可实现CO⁺离子降解。     

Polarization properties of single metallic nano-spheroid using 3-D boundary element method

The polarization properties of an individual metallic nano-spheroid illuminated by the linearly polarized light are studied based on 3-D boundary element method. The scattering cross sections and the local field enhancements are investigated in detail when the incident lights are with different polarization directions and wavelengths. The numerical results show that the polarization direction of the incident light can strongly influence the scattering spectrum and the enhanced field distribution of the metallic nano-spheroid. The incident light with polarization direction parallel or perpendicular to the major axis can inspire longitudinal or transversal local surface plasmons resonance modes, respectively. The electric field enhancement and distribution around the nano-spheroid can be conveniently tuned by carefully selecting the polarization direction and wavelength of the incident light.