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.     

Reactive Ion Etching as Cleaning Method Post Chemical Mechanical Polishing for Phase Change Memory Device

In order to improve nano-scale phase change memory performance, a super-clean interface should be obtained after chemical mechanical polishing （CMP） of Ge2Sb2Te5 phase change films. We use reactive ion etching （RIE） as the cleaning method. The cleaning effect is analysed by scanning electron microscopy and an energy dispersive spectrometer. The results show that particle residue on the surface has been removed. Meanwhile, Ge2Sb2Te5 material stoichiometric content ratios are unchanged. After the top electrode is deposited, currentvoltage characteristics test demonstrates that the set threshold voltage is reduced from 13 V to 2.7V and the threshold current from 0.1 mA to 0.025 mA. Furthermore, we analyse the RIE cleaning principle and compare it with the ultrasonic method.     

金属表面硅烷试剂膜结构及性能表征方法

综述了用硅烷试剂处理金属表面而形成的保护膜性能及结构的表面分析方法。详述了X射线光电子能谱、红外光谱、次级离子质谱、椭圆光谱、电化学阻抗谱等方法在硅烷处理金属表面过程中的应用 ,通过对膜形成的机制、膜的键合方式、膜结构、膜厚度以及膜的耐蚀性等方面的研究分析 ,探讨了它们对膜性能的影响 ,并用各种不同的参数表征了金属基材上硅烷膜的特性。同时指出了所述各种表面分析方法用于金属表面硅烷膜分析和检测的优点和不足之处 ,讨论了将各种表面分析技术联用起来以期得到更多有用的化学信息 ,以此可以指导硅烷化金属表面处理工艺过程。此外还提到了其他可用于金属表面硅烷膜性能的表征的分析技术 ,展望了金属表面硅烷膜分析的研究。     

Systematic study on visible light collimation nanostructured slits in the metal surface

We present a systematic experimental investigation on visible light collimation by a nanostructured slit flanked with a pair of periodic array of grooves in gold thin film. A wide variety of aspects are considered, such as the polarization state, the transport path of incident light, the groove-groove spacing, the groove width and depth. Our results clearly show that the relationship between the collimation wavelength and the periodicity of the slit-groove structure accords well with the surface plasmon dispersion model proposed by previous researchers. Furthermore, the surface plasmon wave phase retardation effect induced by the surface structure is also verified via the measurement for samples with different groove widths and depths. These results indicate that the detailed geometry of the groove structure has obvious impacts on the collimation effect and the angular distribution of the diffraction light in the subwavelength plasmonic system.     

Photodetachment of H- Near a Dielectric Surface

Using the closed orbit theory, the photodetachment cross section of H- near a dielectric surface has been derived and calculated. The results show that the dielectric surface has great influence on the photodetachment process of negative ion near the ionization threshold. Above the ionization threshold, the photodetachment cross section starts to oscillate. With the increase of the energy, the oscillating amplitude decreases and the oscillating frequency increases. The oscillation in the photodetachment cross section of H- in the presence of a dielectric surface is either larger or smaller than the photodetachment of H- without the surface. As the photon energy is larger than the critical value Epc, the oscillatory structure disappeared and the cross section approaches to the case of the photodetachment of H- without any external fields. For a given detached-electron energy, the photodetachment cross section becomes decreased with the increase of the ion-surface distance. Besides, the dielectric constant has great influence on the photodetachment of H-. With the increase of the dielectric constant, the oscillation in the cross section becomes increased. As the dielectric constant increases to infinity, the cross section is the same as the photodetachment of H- near a metal surface. This study provides a new understanding on the photodetachment process of H- in the presence of a dielectric surface.     

水在金属表面的氢键网络结构振动谱研究

用从头计算分子动力学模拟方法研究了水在Pt(111)表面上的吸附。总能优化和振动谱分析都表明，在这个表面上水以有序的分子态双层结构存在。这一结论和最近对水在Ru(0001)表面上吸附的计算结果相悖，但和已有的实验相符。此外，文章作者首次确定双层结构中存在两种不同的氢键形式。这两种氢键可以通过0H伸缩振动模的振动谱得到直接证实。     

纺织钢领的化学机械抛光试验

探讨了化学机械抛光(CMP)技术在细纱机的钢领后续加工中的应用.通过采用CMP与传统磨料流抛光技术的对比试验, 表明应用CMP技术后提高了钢领的加工效率和工作表面质量,证明CMP应用于钢领抛光是完全可行的.同时,对CMP抛光钢领的机理及影响因素进行了分析.试验表明,采用CMP技术抛光钢领时,钢领的表面在抛光液的作用下形成了软质层,由于该软质层的形成, 提高了抛光效率,也改善了钢领的表面质量.     

极性有机物在零价态过渡金属表面的配位化学反应

咪唑、腈、酯类等极性有机物吸附在铜、铂、银、汞等过渡金属表面时,氮原子或氧原子上的孤对电子插入金属原子的外层价轨道,在表面生成零价态金属原子的配合物。由于电子的迁移,使金属原子及有机物中相应的化学键同时被活化。这一现象被作者称为"表面吸附层的配位双活化效应"。在有氧存在时,零价态金属原子极易与上述有机物发生化学反应,导致了N-H键、C≡N键或C-O键的破裂,生成超薄化学吸附层覆盖在金属表面。     

成像级CdSe中红外波片的表面处理工艺研究

本文利用改进的垂直无籽晶气相升华法生长出尺寸达Φ30×40 mm的优质硒化镉(CdSe)单晶体。解理晶体,通过X射线衍射仪测试精确的获得(001)晶面。然后定向切割、研磨、抛光,获得了尺寸为20×20×3mm~3的CdSe中红外波片初胚。以弱碱性溶液与刚玉粉的混合液作为抛光液,利用化学机械抛光法对CdSe中红外波片进行表面抛光处理。结果显示,抛光处理有效的减少了波片表面的损伤层、划痕及结构缺陷,晶片表面的粗糙度降低,在2~20μm波段透过率较高(达到70%),满足中红外波片的应用需求。     

NaF+HNO3浸泡法去除金属部件表面241Am污染

241Am是极毒、亲骨超钚核素,主要发射5.49MeVα粒子和59.6keV的γ射线,半衰期为423年。曾经作为烟雾探测器广泛地应用于火灾报警器生产中,长期的生产造成了生产线各个部位,尤其是金属部件表面存在较为严重的放射性污染。在其生产线退役过程中,需要对这些污染表面进行去污以减少操作人员受照剂量和退役过程废物产生量。放射性污染的去污按去污机理可分为机械法、化学法、物理法和电化学法等[1]。其中化学浸泡去污在核设施退役中应用较为广泛[2]。NaF HNO3浸泡去污工艺早期由前苏联开发,针对的去污对象主要为不锈钢,开始采用的试剂组成为3…