基于压缩表示的离子刻蚀仿真三维表面演化方法

为了研究表面演化过程的机理, 提出了一种基于压缩表示的三维表面演化方法来模拟等离子体刻蚀工艺,并着重探讨了对离子刻蚀的仿真. 为了解决三维元胞自动机内存需求量大的问题, 该方法将二维数组和动态存储方式相结合, 既实现元胞信息的无损压缩存储, 又保持三维元胞间的空间相关性. 实验结果也表明该方法不仅节省了大量内存, 而且在高分辨率条件下查找离子初始碰撞的表面元胞效率较高, 满足高分辨率仿真的要求. 将该方法应用于实现刻蚀工艺三维表面仿真中, 模拟结果与实验结果对比验证了该方法的有效性. 关键词： 等离子体刻蚀 元胞自动机 表面演化方法 高分辨率仿真     

Interaction and local magnetic moments of metal phthalocyanine and tetraphenylporphyrin molecules on noble metal surfaces

In order to understand the Kondo effect observed in molecular systems, first-principles calculations have been widely used to predict the ground state properties of molecules on metal substrates. In this work, the interaction and the local magnetic moments of magnetic molecules （3d-metal phthalocyanine and tetraphenylporphyrin molecules） on noble metal surfaces are investigated based on the density functional theory. The calculation results show that the dz2 orbital of the transition metal atom of the molecule plays a dominant role in the molecule-surface interaction and the adsorption energy exhibits a simple declining trend as the adsorption distance increases. In addition, the Au（111） surface generally has a weak interaction with the adsorbed molecule compared with the Cu（ll 1） surface and thus serves as a better candidate substrate for studying the Kondo effect. The relation between the local magnetic moment and the Coulomb interaction U is examined by carrying out the GGA＋U calculation according to Dudarev＇s scheme. We find that the Coulomb interaction is essential for estimating the local magnetic moment in molecule-surface systems, and we suggest that the reference values of parameter U are 2 eV for Fe and 2-3 eV for Co.     

Null testing toroidal surface and biconic surface with cylinder compensator

Toroidal surface and biconic surface are employed increasingly, however their profile cannot be null tested easily for they are non-rotationally symmetrical. Null testing method with cylinder compensator is proposed to solve this problem. The theory of this method is revealed. The errors of this method are present. Three typical testing optical systems with cylinder compensator are demonstrated at last. The design results and total error indicate that this method is feasible.     

Three different low-temperature plasma-based methods for hydrophilicity improvement of polyethylene films at atmospheric pressure

Three different low-temperature plasma-based methods were used to improve the surface hydrophilicity of polyethy- lene （PE） films, and all the modification processes were carried out by employing an atmospheric pressure plasma jet （APPJ） system. （a） PE films were directly modified by APPJ using a gas mixture of He and 02. （b） Acrylic acid （AA） was introduced into the system and a polymer acrylic acid （PAA） coating was deposited onto the PE films. （c） AA was grafted onto the PE surface activated by plasma pre-treatment. It was found that the hydrophilicity of the PE films was significantly improved for all the three methods. However, the samples modified by Process （a） showed hydrophobicity recovery after a storage time of 20 days while no significant change was found in samples modified by Process （b） and Process （c）. The Fourier transform infrared spectroscopy （FTIR） results indicated that the most intensive C=O peak was detected on the PE surface modified by Process （c）. According to the X-ray photoelectron spectroscopy （XPS） analysis, the ratios of oxygen-containing polar groups for samples modified by Process （b） and Process （c） were higher than that modified by Process （a）.     

空间电荷效应对热场致发射中诺廷汉效应的影响

热场致发射阴极所产生的强流电子束具有很强的空间电荷效应,为研究该效应对热场致发射过程中诺廷汉（Nottingham）效应的影响机理,在理论分析的基础上,用数值方法研究了不同逸出功和多个外加电场条件下考虑空间电荷效应对诺廷汉效应结果的影响,并与不考虑空间电荷效应时的情形进行了对比. 结果表明：空间电荷效应的强弱会显著影响到阴极表面的稳态电场,进而对诺廷汉效应产生不可忽略的影响;当逸出功在3.0–4.52 eV、外加电场在3×10⁹–9×10⁹ V/m范围内时,考虑空间电荷效应的影响后,热场致发射电子所带走的平均能量较不考虑空间电荷效应时增加0–2.5 eV,且温度越高或外加电场越大时,该增加值越大;考虑空间电荷效应对诺廷汉效应的影响后,热场致发射电子从阴极带走的平均能量随外加电场的增加呈非线性下降规律;当阴极表面温度较高时,诺廷汉效应中的冷却效应随二极管间隙距离的变大而增强. 关键词： 热场致发射 诺廷汉效应 空间电荷效应 阴极表面电场     

基于电泳法和磁控溅射技术制备金纳米阵列

采用纳米球刻蚀技术中的电泳法设计了3组对照实验,通过控制电压、悬浮液的体积分数和基板正负极性,得到电泳法制备纳米球掩膜板的最佳条件,制备出排布均匀的纳米球单层密堆积结构的掩膜板.采用磁控溅射技术在掩膜板上沉积金薄膜,去除纳米球掩模板,通过扫描电子显微镜观察到周期排列的三角形棱台状金纳米颗粒阵列.测量其吸收光谱,可观察到表面等离子体共振吸收峰.     

肿节风的表面增强拉曼光谱检测

提出一种基于表面增强拉曼光谱的中药材肿节风饮片的检测方法。采用柠檬酸三钠还原硝酸银制备银溶胶,以银胶纳米粒子为增强基底测得肿节风茎切片的表面增强拉曼光谱(SERS)。发现银胶直接作用于药材表面的SERS信号明显增强,肿节风茎切片SERS光谱中在637,1 176,1 309,1 476,1 612 cm^-1处都可观察到明显的拉曼特征峰。通过一阶导数拉曼光谱分析技术和对照品异嗪皮啶谱峰指认,可将获得的SERS峰位分别归属于吡喃酮环、甲氧基和酚羟基分子结构。研究结果表明,SERS技术可为肿节风和其他中草药的生产和质量监控提供一种快速、方便和直接的检测方法。     

2-氨基苯硫酚NIR-SERS光谱及其在纳米银表面吸附行为分析

本文采用静电自组装的方法制备了二维纳米银膜。UV-vis吸收光谱显示其等离子体共振吸收带位于400+900nm的光谱范围,延伸到了近红外区,可以较好的匹配785nm的近红外激发光源。以该纳米银膜为基底,对2-氨基苯硫酚(2-ATP)分子进行了近红外表面增强拉曼散射(NIR-SERS)检测,获得了重复性良好的NIR-SERS光谱图。实验表明:以2-ATP为探针分子时,该纳米银膜的NIR-SERS增强因子达到2.19×109。同时,本文采用密度泛函理论(DFT),以B3LYP/6-31G为基函数,对2-ATP分子进行结构优化和普通拉曼光谱(NR)计算,发现理论值和实验值吻合较好。此外,对2-ATP的NIR-SERS谱带进行了归属分析,发现当2-ATP分子在纳米银表面吸附时,是以-SH基团吸附到银表面,且同时-SH基团会被纳米银氧化。     

SERS技术用于苹果表面有机磷农药残留的检测

传统农药残留检测方法比较繁琐、耗时、破坏样品,快速、无损、实时在线是农残检测的发展方向。本文利用表面增强拉曼光谱技术,以苹果为载体,有机磷农药甲拌磷和倍硫磷为研究对象,初步探讨了苹果表面甲拌磷和倍硫磷农药的快速无损检测方法。结果表明,运用表面增强拉曼光谱技术,可使两种有机磷农药的特征频率较易识别,并选取甲拌磷的728 cm-1和倍硫磷的1 512 cm-1 处的拉曼信号作为定量分析目标峰,采用内标法建立甲拌磷、倍硫磷的线性回归模型,可以作为定量分析甲拌磷、倍硫磷的参考依据。     

一种基于布拉格反射波导的表面等离子体激光光源（英文）

设计了一种基于布拉格反射波导的新型表面等离子体激光光源。这种光源结构简单,便于集成,可以在室温电泵浦的条件下工作,同时可以输出约毫瓦量级的表面等离子激光,相比于文献报道中纳米尺度的纳瓦级表面等离子体激光光源要高很多。该表面等离子体激光光源发射波长为808 nm,布拉格反射波导所提供的倾斜激光光线在我们设计的准Otto模型中可以直接耦合成为表面等离子体。