有机分子超薄膜的结构对摩擦的影响

采用分子动力学方法, 模拟了由脂肪酸C_nH_2n+1COOH}和C₁₇H₃₁COOH (n=12,13,14,15,16,17)组成的混合单层Langmuir-Blodgett(LB)膜间的摩擦特性, 探究了膜结构的变化对超薄膜的摩擦的影响. 结果显示. 在滑动过程中, 随着n的增加, 膜内分子的运动受到邻近分子的约束逐渐增加, 膜结构的稳定性也逐渐增加, 其剪切压逐渐减小, n=17时的剪切压最小. 在两单层膜之间无氢键形成; 而混合膜内的分子之间形成的氢键是单层膜结构稳定的主要因素, 其中n=16时形成的氢键最稳定, 但全部由相同C₁₇H₃₁COOH分子组成的单层膜的滑动效果最好. 分子的弯曲形变能对剪切压影响非常小.     

Pt插层对铁磁/反铁磁界面交换耦合的影响

在铁磁层(FM)/反铁磁层(FeMn)耦合体系中插入Pt 插层或对靠近FM/FeMn界面处的FeMn掺杂Pt元素,研究了体系的交换偏置场 H_ex及矫顽力H_c随Pt插层深度 d_Pt与Pt掺杂层厚度t_PtFeMn的变化关系. 实验结果表明,引入Pt插层后NiFe/FeMn(d_Pt)/Pt/FeMn体系的未补偿磁矩(UCS)的数量得到很大的提高,从而对H_ex与H_c 起到增强的作用; 同时, 从实验结果可以推测FeMn层内部UCS的分布深度约为1.3 nm. 另外,对靠近FM/FeMn界面处的FeMn掺杂Pt元素,发现掺入Pt元素后体系的H_ex 得到有效增强, 这是因为掺入Pt元素后体系UCS的数量也得到很大的提高.     

SiO2纳米颗粒单层膜流变特性的双Wilhelmy片法研究

本文采用两个互相垂直的Wilhelmy片对不同润湿性的SiO₂纳米颗粒单层膜的表面压和黏弹性进行了研究, 并利用Brewster角显微镜(BAM)对单层膜的形貌演变进行了观测. 实验发现, 当水面完全被颗粒覆盖时, 单层膜的表面压具有明显的各向异性, 中等润湿性(34%SiOH)的颗粒膜其表面压各向异性最大. 压缩模量E和剪切模量G均在中等润湿性时出现最大值. 这些结果表明, 单层膜的流变性能与泡沫的稳定性密切相关. 疏水性最强(20%SiOH)的颗粒膜具 关键词： 纳米颗粒 单层膜 表面压 流变     

共轭低聚物中光生分子间电荷转移态的第一性原理研究

本文基于第一性原理中的Heyd-Scuseria-Ernzerh方法研究了单层In_1-xGa_xN的电子结构和光学性质.计算得到单层In_1-xGa_xN的能带结构和态密度（DOS）,发现随着掺杂比例的变化,体系带隙的变化范围是1.8~3.8 eV,表明通过Ga的掺杂可以实现体系带隙值的调节.并且还研究了单层In_1-xGa_xN的介电函数,折射率和吸收系数等光学性质,结果表明随着Ga掺杂浓度的增加,介电函数谱的主峰和吸收谱发生了显著的蓝移.此外,基于能带结构和态密度图谱,对单层In_1-xGa_xN的光学性质进行分析,预测这种材料独特的光学性质在纳米电子学和光学器件中会有广泛的应用.     

超薄栅超短沟LDD nMOSFET中栅电压对栅致漏极泄漏电流影响研究

本文研究了90nm CMOS工艺下栅氧化层厚度为1.4 nm沟道长度为100 nm的轻掺杂漏(LDD)nMOSFET栅电压V_G对栅致漏极泄漏 (GIDL)电流I_d的影响,发现不同V_G下ln (I_d/(V_DG-1.2))-1/(V_DG-1.2)曲线相比大尺寸厚栅器件时发生了分裂现象. 通过比较V_G变化下ln(I_d/(V_DG-1.2))的差值,得出V_G与这种分裂现象之间的作用机理,分裂现象的产生归因于V_G的改变影响了GIDL电流横向空穴隧穿部分所致. 随着|V_G|的变小,ln(I_d/(V_DG-1.2))曲线的斜率的绝对值变小.进一步发现不同V_G对应的ln (I_d/(V_DG-1.2))曲线的斜率c及截距d与V_G呈线性关系,c,d曲线的斜率分别为3.09和-0.77. c与d定量的体现了超薄栅超短沟器件中V_G对GIDL电流的影响,基于此,提出了一个引入V_G 影响的新GIDL电流关系式.     

生长初期Ta膜的表面动态演化行为

用磁控溅射方法在单晶Si衬底上沉积膜厚为15—250nm的Ta膜.基于原子力显微镜获得的薄膜表面形貌，用动力学标度理论量化表征薄膜表面动态演化行为.结果表明：当膜厚d<50nm时，薄膜生长指数β≈0.17，而d>50nm后β≈0.45；随着d增加，粗糙度指数α由0.24逐渐增加到0.69，且在d>50nm后趋于稳定.Ta膜的表面动态演化行为揭示了其由小岛聚合结构向连续膜演化的生长过程.与自阴影等非局域效应引起的非稳定行为不同的是，当d<50nm时，薄膜表面动态演化的非稳定行为来源于生长初期的小岛聚合，表面小岛沿膜面切向的生长优于沿法向的生长.随着d继续增加，薄膜以连续膜形式生长，表面动态演化趋于稳定.     

基于薄膜电极溶胶修饰的染料敏化太阳电池光电特性研究

染料敏化太阳电池(DSC)中的纳米薄膜电极 是决定太阳电池光电转换性能的重要组成部分. 为改善薄膜电极特性, 采用了不同浓度的TiO₂溶胶对DSC光阳极导电玻 璃和纳米TiO₂多孔薄膜进行不同方式的界面处理. 利用X射线衍射方法对制备得到的多孔薄膜以及溶胶经高温处理 后致密层中纳米TiO₂颗粒的尺寸及晶型进行了测试. 采用高分辨透射电子显微镜和场发射扫描电子 显微镜观察了纳米颗粒及薄膜微结构形貌. 采用强度调制光电流谱/光电压谱分析了TiO₂溶 胶的不同处理方式对电子传输和复合的影响. 在100 mW· cm^-2光强以及暗环境下分别测试了DSC的伏安输出性能以及暗电流. 结果表明, 不同浓度和处理方式均能较好地抑制暗电流. 溶胶处理后光生电子寿命τ_n延长, 电子传输平均时间τ_d相应缩短. 采用浓度为0.10 mol·L^-1的 溶胶对导电玻璃和多孔膜同时处理, DSC的宏观输出特性最佳, 短路电流密度J_sc提高了10.9%, 光电转换效率η提高了11.9%.     

用CARS技术确定拉曼退偏比的一种数据处理新方法

Yuika等人利用偏振CARS技术可以准确地确定分子的拉曼退偏比.其方法是，首先对不同检偏角_d所对应CARS谱峰的频率分布进行数学模拟，然后由所得系数随检偏角φ_d的变化求得使CARS信号中共振项消失的偏振角φ^０_d，最后由消失条件ρ＝-1/(tanθtanφ⁰_d)求出退偏比ρ，θ为产生CARS光的Pump光与Stokes光偏振方向的夹角.本文提出的数据处理方法，即交点法.同Yuika等人处理数据的方法相比，交点法毋需关于谱峰频率分布的知识，做法也更为简便.     

CoFeB/Pt多层膜的垂直磁各向异性研究

具有垂直磁各向异性的磁性纳米结构是自旋转移力矩器件的重要研究内容, 本文采用反常霍尔效应系统地研究了磁控溅射法制备的[CoFeB/Pt]_n多层膜的垂直磁各向异性. 当CoFeB的厚度小于0.6 nm时, 可以在[CoFeB/Pt]_n多层膜中观察到清晰的垂直磁各向异性, 其垂直磁各向异性强烈依赖于CoFeB和Pt层厚度及多层膜周期数. 当多层膜周期数n ≥ 5时, 出现零剩磁现象. 另外, [CoFeB/Pt]_n多层膜的矫顽力均小于2 kA·m^-1, 有望作为垂直自由层的重要侯选材料应用于垂直磁纳米结构中.     

R-宇称破缺的相互作用研究

在LHC上，最小超对称标准模型中R-宇称破缺相互作用使LHC上tt对的产生有两种过程，一种是交换slepton粒子的t道的d_Rd_R→t_Lt_L过程，一种是交换squark粒子的u道的d_Rd_R→t_Rt     

The applicability of thermodynamic perturbation theory to the evaluation of the specific excess free energy and disjoining pressure in a wetting layer of nonpolar liquid with convex interface

The specific excess free energy and disjoining pressure in a wetting layer of nonpolar liquid on the surface of a solid spherical particle have been calculated on the basis of thermodynamic perturbation theory. The calculation results are compared with the data for a flat interface, obtained both experimentally and within the quasi-thermodynamic approach. The stability of the liquid layer on the convex surface is analyzed using the concept of reduced disjoining pressure.     

Structure-dependent optical anisotropy of porphyrin Langmuir–Schaefer films

We have studied the optical anisotropy of Langmuir–Schaefer layers of PdC₁₀OAP porphyrin, deposited onto gold substrates with thickness in the range 0–16 monolayers (ML). Deposition has been carried out at two values of the surface pressure Π, corresponding to different layer structures. In one case (Π=30 mN/m), molecules are well ordered in stacks oriented edge-on with respect to the substrate. In the other (Π=10 mN/m), a complex reorganization of the system happens several days after deposition, to form a mesoscopic two-dimensional lattice. The spectra measured by reflectance anisotropy spectroscopy (RAS) in two cases are clearly characterized. In the former, the line shape is dominated by a characteristic, large structure appearing in coincidence with the Soret band of the molecule, the development of which from a “peak-like” to a “derivative-like” appearance occurs at a well-defined critical thickness Θ_c (8 ML). In the latter, the line shape is always “peak-like”. We explain both line shapes in terms of morphological characteristics of the layer, occurring at different thickness values. The present results clearly show the potential of RAS to characterize efficiently the deposition of organic materials, and suggest that in short time it will be used as an in situ and real time spectroscopy, as already done in inorganic growth.     

水下均匀材料复合层吸声特性研究

本文对水下阻尼板和其它介质层复合的多层吸声和结构吸声，反声性能进行了研究，利用各层界面压力，振速的四端网络矩阵及层间边界条件导出吸声结构表面阻抗和反射系统数随频率的变化关系，数值计算分析了不同边界条件，多种层以及改变各层参数情况，反声，吸声系数的变化，发现多层结构中厚的水层引起强烈的共振反射峰，并提出了抑制共射的方法。     

Modelling self-assembling of colloid particles in multilayered structures

Simulations of particle multilayer build-up in the layer by layer (LbL) self-assembling processes have been performed according to the generalized random sequential adsorption (RSA) scheme. The first (precursor) layer having an arbitrary coverage of adsorption centers was generated using the standard RSA scheme pertinent to homogeneous surface. Formation of the consecutive layers (up to 20) was simulated by assuming short-range interaction potentials for two kinds of particles of equal size. Interaction of two particles of different kind resulted in irreversible and localized adsorption upon their contact, whereas particles of the same kind were assumed to interact via the hard potential (no adsorption possible). Using this algorithm theoretical simulations were performed aimed at determining the particle volume fraction as a function of the distance from the interface, as well as the multilayer film roughness and thickness as a function of the number of layers. The simulations revealed that particle concentration distribution in the film was more uniform for low precursor layer density than for higher density, where well-defined layers of closely packed particles appeared. On the other hand, the roughness of the film was the lowest at the highest precursor layer density. It was also predicted theoretically that for low precursor layer density the film thickness increased with the number of layers in a non-linear way. However, for high precursor layer density, the film thickness increased linearly with the number of layers and the average layer thickness was equal to 1.58 of the particle radius, which is close to the closely packed hexagonal layer thickness equal to 1.73. It was concluded by analysing the existing data for colloid particles and polyelectrolytes that the theoretical results can be effectively exploited for interpretation of the LbL processes involving colloid particles and molecular species like polymers or proteins.     

界面层对层状各向异性复合结构中Lamb波的影响

建立了各向异性界面层的弹簧模型,并将其应用于分析层状复合媒质的全局矩阵技术中.其 引入的机理是全局矩阵的程序结构、各层矩阵的排列不至于遭受大的破坏.因此,把弹簧界 面作为一个“材料层”.该层的材料常数用劲度常数来描述,其层厚为零.把该层放在全局矩 阵适当的位置而使系统中的其他层不发生任何变化.数值示例显示了刚性联接、滑移联接、 完全脱层三种不同界面条件下双层各向异性复合结构中Lamb波的频散特征,并对刚性联接和 滑移联接时质点沿板厚方向的位移分布进行了比较. 关键词： 各向异性界面 弹簧模型 全局矩阵 兰姆波频散     

Early stages of laser mixing process in Sb/Ge multilayer thin films

The onset of mixing at the interfaces between Sb and Ge in thin multilayered films containing two or four layers has been studied. The films were irradiated with nanosecond laser pulses in order to trigger mixing, and in situ reflectivity measurements were used to follow the transformation in real-time. Cross sectional transmission electron microscopy analysis was used to study both the structure and the composition profile before and after irradiation.A threshold irradiation energy exists for the onset of mixing, below which roughening of the interface between the layers is observed, together with recrystallization of the surface Sb layer following melting. The results are consistent with a melting/diffusion process which is inhomogeneously nucleated at the interface between the top Sb and Ge layers. Once mixing is initiated an amorphous Sb-Ge layer of constant thickness is formed, corresponding to mixing along a well defined planar melt front. Voids are observed at the former Sb/Ge interface, which may be related to interfacial stress in the as-grown configuration.     

Surface impedance matrices to model the propagation in multilayered media

The surface impedance matrices in stratified plates made of fluid layers and/or anisotropic absorbing solid layers link the particle velocity field to the stress field at any interface. A surface impedance matrix represents the impedance at a given interface of all the layers located between that interface and one boundary of the medium. For each interface, there are two surface impedance matrices, each one corresponding to one boundary. This notion simplifies the computations of the modal solutions. The number of elements in the matrices involved in the computations is divided by a factor of four in comparison to usual matrix methods. This paper describes the method and presents examples to illustrate its interests and its efficiency where other techniques fail, for instance in the case of modes possessing energy in layers embedded in the structure.     

Kink-induced transport and segregation in oscillated granular layers

We use experiments and molecular dynamics simulations of vertically oscillated granular layers to study horizontal particle segregation induced by a kink (a boundary between domains oscillating out of phase). Counterrotating convection rolls carry the larger particles in a bidisperse layer along the granular surface to a kink, where they become trapped. The convection originates from avalanches that occur inside the layer, along the interface between solidified and fluidized grains. The position of a kink can be controlled by modulation of the container frequency, making possible systematic harvesting of the larger particles.     

Electronic structure of Ag adsorbed on Si(111); experiment and theory

Experimental results (low energy electron loss spectroscopy) and band structure calculations relating to the early stages of Ag growth on a Si(111) surface are presented. Crystallography and thermal desorption kinetics studies of this interface, previously published, gave rise to the following conclusions. At room temperature and below 200°C, two-dimensional (2D) (111) epitaxial layers develop on top of a first ordered layer (√3 × √3), while at higher temperatures three-dimensional (3D) clusters develop over this first layer. Low energy electron loss experiments were performed at various surface coverages θ. They display different evolutions according to the growth modes. For the 2D epitaxial growth, one observes the disappearance of the peaks characteristic of a Si surface and the onset of Ag induced peaks located at 7.1 and 4.6 eV at completion of the √3 layer. These peaks narrow and shift to the bulk Ag excitation energies at 7.5 and 4 eV when a second Ag layer is deposited. In order to explain these results, we present a theoretical calculation of the electronic density of states of the interface using a tight binding approximation. This calculation accounts for the development of the Ag d band from the √3 coverage range to the (111) epitaxial Ag planes. The evolution of the spectra when θ is increased is discussed in view of these results.