Ar-buffer-assisted deposition of Cu13 on Cu(1 1 1) surfaces

In this paper, the deposition of Cu₁₃ onto Cu(1 1 1) surface through argon buffer layers was investigated by molecular dynamics (MD) simulations. The interactions between Cu-Cu, Cu-Ar, and Ar-Ar were described by Finnis-Sinclair (FS) tight-binding potential and L-J potential, respectively. The impact energy was chosen to be 2-6 eV/atom in order to compare with experimental results. It was observed that with Ar-buffer layers, the Cu cluster deposited on the surface may retain its free cluster symmetry (I_h). Whereas, on originally bare Cu surface, the deposited Cu cluster lost its original symmetry completely and was recrystalized to have the same fcc structure as the substrate. The Ar-buffer dissipates most of the translational energy of the incident cluster. Therefore, it prevents the cluster from being overheated upon impinging. Furthermore, the interaction between Ar and Cu benefits the confinement of the cluster structure. Our study shows that with Ar-buffer layers, the lateral spread of deposited clusters is 20% smaller than that on the bare Cu surface. This is consistent with the experimental findings.     

Surface structures formed by individual adsorption and coadsorption of Mn and Bi on Cu(0 0 1), studied by LEED

We have studied the individual adsorption of Mn and Bi, and their coadsorption on Cu(0 0 1) by low-energy electron diffraction (LEED). For Mn, we have determined the c(2 × 2) structure formed at 300 K, whose structure had been determined by several methods. We reconfirmed by a tensor LEED analysis that it is a substitutional structure and that a previously reported large corrugation (0.30 Å) between substitutional Mn and remaining surface Cu atoms coincides perfectly with the present value. In the individual adsorption of Bi, we have found a c(4 × 2) structure, which is formed by cooling below ∼250 K a surface prepared by Bi deposition of ∼0.25 ML coverage at 300 K where streaky half-order LEED spots appear. The c(4 × 2) structure has been determined by the tensor LEED analysis at 130 K and it is a substitutional structure. In the coadsorption, we found a c(6 × 4) structure, which has been determined by the tensor LEED analysis. It is very similar to the previously determined structure of the c(6 × 4) formed by coadsorption of Mg and Bi, and embedded MnBi₄ clusters are arranged in the top Cu layer instead of MgBi₄. Large lateral displacements of Bi atoms in the c(6 × 4)-(Mn + Bi) suggest that the Mn atoms undergo the size-enhancement caused by their large magnetic moment.     

Cu、N空位对Cu_3N的电子结构、电学和光学性能影响的第一性原理研究

本文采用基于密度泛函理论的第一性原理计算方法,研究了立方相Cu_3N晶体中含Cu、N空位体系的稳定性、电学、光学性能.研究结果表明含Cu空位和N空位体系的结构比较稳定,Cu空位和N空位降低了体系的导电性,但增加了体系的透射率;含Cu空位和N空位体系的禁带宽度均大于Cu_3N体系,说明实验中制备的Cu_3N有时表现为绝缘体的可能原因为体系中存在Cu空位或N空位.     

Cu原子掺杂调控三聚氰胺在Au(111)表面自组装结构

The doping effect of Cu on the self-assembly film of melamine on an Au(111) surface has been investigated with scanning tunneling microscopy (STM). The evaporated Cu adatoms occupy the positions underneath the amino groups and change the hydrogen bonding pattern between the melamine molecules. Accordingly, the self-assembly structure has changed stepwise from a well-defined honeycomb into a track-like and then a triangular structure depending on the amount of Cu adatoms. The interaction between Cu adatom and melamine is moderate thus the Cu adatoms can be released upon mild heating to around 100℃. These findings are different from previous observations of either the coordination assembly or the physically trapped metal adatoms.     

W/Cu梯度功能材料的高热负荷性能研究

用等离子体喷涂和热压方法制作了W/Cu梯度功能材料(FGM)样品,用大功率ND∶YAG激光对其进行了高热负载模拟实验.结果表明,在100～400MW@m-2的瞬时(脉冲宽度为4ms)热负载下,经过200～700次热循环,未发现有W-Cu复合体开裂.在123MW@m-2的功率密度下作用700次,发现钨表面有再结晶现象及严重的晶界腐蚀和裂纹,再结晶的平均晶粒尺寸约为5～10μm,垂直于表面呈柱状结构,再结晶层厚度约20～30μm.由于激光的淬冷效应,晶粒生长的趋势并不明显.在398MW@m-2功率密度下出现了明显的腐蚀坑,坑内呈疏松的蜂窝结构,坑的边缘出现了明显沉积区,能谱分析表明沉积区集聚了大量的金属杂质.等离子体喷涂试样比热压试样更易产生晶界的断裂的裂纹.在相同的热负荷条件下,W/Cu FGM的重量损失低于石墨材料的重量损失.     

原子吸收法直接测定食用L-赖氨酸盐酸盐中的铜和铅

本文报道了用石墨炉-原子吸收分析法，将食用L-赖氨酸盐样品经稀酸溶解后，直接进样测定。该方法省去了通常必需的干灰化或湿消解过程，充分利用石墨炉本身所具的对样品进行部分预处理的功能，在无基体改进剂的条件下，快速测定样品中的Cu和Pb的含量。方法简便，快速，准确，实用，Cu和Pb的精密度试验的相对标准偏差分别为4.8%和5.3%；回收率分别为100%-110%和102%-105%。     

A density functional theory study on the adsorption of CO and O₂ on Cu-terminated Cu₂O（111） surface

The adsorptions of CO and O2 molecules individually on the stoichiometric Cu-terminated Cu2O(111) surface are investigated by first-principles calculations on the basis of the density functional theory.The calculated results indicate that the CO molecule preferably coordinates to the Cu2 site through its C atom with an adsorption energy of -1.69 eV,whereas the O2 molecule is most stably adsorbed in a tilt type with one O atom coordinating to the Cu2 site and the other O atom coordinating to the Cu1 site,and has an adsorption energy of -1.97 eV.From the analysis of density of states,it is observed that Cu 3d transfers electrons to 2π orbital of the CO molecule and the highest occupied 5σ orbital of the CO molecule transfers electrons to the substrate.The sharp band of Cu 4s is delocalized when compared to that before the CO molecule adsorption,and overlaps substantially with bands of the adsorbed CO molecule.There is a broadening of the 2π orbital of the O2 molecule because of its overlapping with the Cu 3d orbital,indicating that strong 3d-2π interactions are involved in the chemisorption of the O2 molecule on the surface.     

铜和镍原子的跃迁振子强度F－值的确定

此文阐述了通过实验测定Ｃｕ和Ｎｉ原子的某些激发能级寿命来确定跃迁振子强度Ｆ－值的方法，并给出主要理论公式和确定结果。     

三七中Cu、Pb和Cd含量的不确定度评定

采用电感耦合等离子体-原子发射光谱法测定三七中Cu、Pb和Cd,对影响测定结果的不确定度来源进行了分析,在此基础上评定了分析结果的不确定度。研究表明,样品的重复性和校准曲线的拟合是影响不确定度的主要原因。     

Doctor-bladed Cu2ZnSnS4 light absorption layer for low-cost solar cell application

The doctor-blade method is investigated for the preparation of Cu2ZnSnS4 films for low-cost solar cell application.Cu2ZnSnS4 precursor powder,the main raw material for the doctor-blade paste,is synthesized by a simple ball-milling process.The doctor-bladed Cu2ZnSnS4 films are annealed in N2 ambient under various conditions and characterized by X-ray diffraction,ultraviolent/vis spectrophotometry,scanning electron microscopy,and current-voltage(J-V) meansurement.Our experimental results indicate that(i) the X-ray diffraction peaks of the Cu2ZnSnS4 precursor powder each show a red shift of about 0.4°;(ii) the high-temperature annealing process can effectively improve the crystallinity of the doctor-bladed Cu 2 ZnSnS 4,whereas an overlong annealing introduces defects;(iii) the band gap value of the doctor-bladed Cu 2 ZnSnS 4 is around 1.41 eV;(iv) the short-circuit current density,the open-circuit voltage,the fill factor,and the efficiency of the best Cu2ZnSnS4 solar cell obtained with the superstrate structure of fluorine-doped tin oxide glass/TiO2/In2S3/Cu2ZnSnS4/Mo are 7.82 mA/cm2,240 mV,0.29,and 0.55%,respectively.