Atomic resolution of the silicon (111)-(7x7) surface by atomic force microscopy

Achieving high resolution under ultrahigh-vacuum conditions with the force microscope can be difficult for reactive surfaces, where the interaction forces between the tip and the samples can be relatively large. A force detection scheme that makes use of a modified cantilever beam and senses the force gradient through frequency modulation is described. The reconstructed silicon (111)-(7x7) surface was imaged in a noncontact mode by force microscopy with atomic resolution (6 angstroms lateral, 0.1 angstrom vertical).     

Direct imaging of reconstructed atoms on TiO2 (110) surfaces

Determining the atomic structures of oxide surfaces is critical for understanding their physical and chemical properties but also challenging because the breaking of atomic bonds in the formation of the surface termination can involve complex reconstructions. We used advanced transmission electron microscopy to directly observe the atomic structure of reduced titania (TiO2) (110) surfaces from directions parallel to the surface. In our direct atomic-resolution images, reconstructed titanium atoms at the top surface layer are clearly imaged and are found to occupy the interstitial sites of the TiO2 structure. Combining observations from two orthogonal directions, the three-dimensional positioning of the Ti interstitials is identified at atomic dimensions and allows a resolution of two previous models that differ in their oxygen stoichiometries.     

Subatomic Features on the Silicon (111)-(7x7) Surface Observed by Atomic Force Microscopy

The atomic force microscope images surfaces by sensing the forces between a sharp tip and a sample. If the tip-sample interaction is dominated by short-range forces due to the formation of covalent bonds, the image of an individual atom should reflect the angular symmetry of the interaction. Here, we report on a distinct substructure in the images of individual adatoms on silicon (111)-(7x7), two crescents with a spherical envelope. The crescents are interpreted as images of two atomic orbitals of the front atom of the tip. Key for the observation of these subatomic features is a force-detection scheme with superior noise performance and enhanced sensitivity to short-range forces.     

The Self-Assembly Mechanism of Alkanethiols on Au(111)

The self-assembly mechanism of alkanethiol monolayers on the (111) surface of gold was discovered with the use of an ultrahigh-vacuum scanning tunneling microscope. Monolayer formation follows a two-step process that begins with condensation of low-density crystalline islands, characterized by surface-aligned molecular axes, from a lower density lattice-gas phase. At saturation coverage of this phase, the monolayer undergoes a phase transition to a denser phase by realignment of the molecular axes with the surface normal. These studies reveal the important role of molecule-substrate and molecule-molecule interactions in the self-assembly of these technologically important material systems.     

C原子在金刚石(100)和(111)面的低能沉积

利用分子动力学模拟研究了低于室温下低能C原子碰撞金刚石(100)和(111)面的微观过程.模拟中采用Brenner导出的多体参数化势,并采用Langevin分子动力学方法模拟系统的退火过程.结果表明,在100 K温度下,当入射C原子能量降至0.1 eV时,易于在(111)面生长近完美的金刚石单层.对(100)面,需更高的能量形成类金刚石SP3杂化结构.

Abstract：

Microscopic processes for low-energy carbon atoms impacting on diamond (111) and (100) surfaces at temperature lower than room temperature are studied using molecular dynamics simulations. A realistic multibody parameterized potential developed by Brenner was used in the simulations. Langevin molecular dynamics was used to simulate the annealing process of the system under study. The results indicate that it is easy to grow a nearly perfect monolayer of diamond on the (111) surfaces when the incident energy of the carbon atoms is lowered to 0. 1 eV at 100 K. For (100) surface, on the other hand, higher incident energy is more favorable for forming diamondlike sp3 hybrids.     

Self-Assembly of n-Alkyl Thiols as Disulfides on Au(111)

A grazing incidence x-ray diffraction study of CH(3)(CH(2))(9)SH self-assembled on the (111) surface of gold revealed a disulfide head group structure, which provides a context in which to understand the structure and self-assembly process of this widely studied system. The structure consists of a nearly hexagonal two-dimensional arrangement of the hydrocarbon chains with a dimerization of the sulfur head groups (accommodated through a gauche bond), resulting in a S-S spacing of 2.2 angstroms. These results demonstrate the importance of internal molecular degrees of freedom in the templating of "soft" organic materials on inorganic substrates.     

Unidirectional growth of microbumps on (111)-oriented and nanotwinned copper

Highly oriented [111] Cu grains with densely packed nanotwins have been fabricated by direct-current electroplating with a high stirring rate. The [111]-oriented and nanotwinned Cu (nt-Cu) allow for the unidirectional growth of Cu(6)Sn(5) intermetallics in the microbumps of three-dimensional integrated-circuit packaging; a uniform microstructure in a large number of microbumps of controlled orientation can be obtained. The high-density twin boundaries in the nt-Cu serve as vacancy sinks during the solid-state reaction between Pb-free solder and Cu and greatly reduce the formation of Kirkendall (or Frenkel) voids.     

Fabrication of atomic-scale structures on si(001) surfaces

The scanning tunneling microscope has been used to define regular crystalline structures at room temperature by removing atoms from the silicon (001) surface. A single atomic layer can be removed to define features one atom deep and create trenches with ordered floors. Segments of individual dimer rows can be removed to create structures with atomically straight edges and with lateral features as small as one dimer wide. Conditions under which such removal is possible are defined, and a mechanism is proposed.     

钙多肽对水稻吸收重金属铅的影响

为了探究钙多肽对水稻吸收重金属铅的影响,以总铅含量分别为100、200、500 mg·kg~(-1)的土壤为研究对象,利用钙多肽为水稻种植肥料,常规复混肥为对照,研究钙多肽对土壤中有效态铅含量、pH以及水稻生长的影响效应,同时研究钙多肽对水稻不同生长时期、不同部位铅含量和钙含量的影响。结果表明:钙多肽可降低土壤中有效态铅含量,提高土壤pH。水稻种植实验中,钙多肽促进水稻生长,使株高提高6.8%～28.9%,千粒重提高6.5%～16.9%;钙多肽提高水稻根部的铅含量,降低水稻茎、叶和糙米中的铅含量,根部铅含量提高10.8%～120.6%,茎部铅含量降低2.2%～28.4%,叶部铅含量降低0.5%～28.6%,糙米铅含量降低13.3%～25.5%;同时钙多肽提高了水稻不同部位的钙含量,使根部钙含量提高1.7%～32.6%,茎部钙含量提高1.6%～17.5%,叶部钙含量提高1.1%～13.4%,糙米钙含量提高12.4%～21.5%。水稻茎、叶和糙米钙含量的增加与其铅含量的减少具有一定的相关性,其钙含量的增加抑制了其对铅的富集。研究还表明钙多肽的作用随时间的延长逐渐下降。     

Laminar growth of ultrathin metal films on metal oxides: Co on hydroxylated alpha-Al2O3(0001)

Metals deposited in vacuum on metal oxides such as alumina normally grow as three-dimensional clusters because of weak adatom-substrate interactions. This tendency hinders our ability to form interfaces of ultrathin, laminar metal films on oxides for use in microelectronics and other technologies where nanostructural control is desired. We present experimental and theoretical results showing that room temperature Co deposition on fully hydroxylated clean sapphire (alpha-Al2O3) produces a surface chemical reaction that leads to laminar growth, despite a large mismatch in lattice constants. This process should be applicable to a wide range of metals and metal oxides.     

CH_3OD在Si(111)表面上的TDS研究

本文运用热脱吸附谱方法(TDS)研究了室温下CH_3OD在Si(Ⅲ)表面上的吸附,对所取得的H_2, HD及D_2的热脱吸附谱进行了分析和比较,并计算出它们的脱吸附能和预指数因子.     

SO2在Ni(111)表面分解吸附的理论研究

采用密度泛函理论(DFT)的广义梯度近似(GGA)方法对SO2及其分解片段的吸附结构和性质进行了理论研究.计算结果表明:在Ni(111)表面上SO2以S,O原子顶位平铺吸附最稳定;SO3以C3v轴倾斜表面吸附;SO自由基存在两种可能的吸附结构,一种是平铺吸附于Ni(111)面,另一种是以S端垂直吸附穴位,S原子在穴位为最优吸附位.对各吸附体系的态密度及电子转移分析表明,SOx吸附中均为衬底镍原子向硫的氧化物转移电子,改变了S—O键之间的电子分布,导致其键长变长,这有利于硫氧化物在镍表面的解离反应.S原子在Ni(111)表面的吸附中,Ni原子的s轨道向S原子转移电子,这与O的吸附机理有所不同.     

X-ray diffraction and computation yield the structure of alkanethiols on gold(111)

The structure of self-assembled monolayers (SAMs) of long-chain alkyl sulfides on gold(111) has been resolved by density functional theory-based molecular dynamics simulations and grazing incidence x-ray diffraction for hexanethiol and methylthiol. The analysis of molecular dynamics trajectories and the relative energies of possible SAM structures suggest a competition between SAM ordering, driven by the lateral van der Waals interaction between alkyl chains, and disordering of interfacial Au atoms, driven by the sulfur-gold interaction. We found that the sulfur atoms of the molecules bind at two distinct surface sites, and that the first gold surface layer contains gold atom vacancies (which are partially redistributed over different sites) as well as gold adatoms that are laterally bound to two sulfur atoms.     

Quantification of primary versus secondary C-h bond cleavage in alkane activation: propane on pt

The trapping-mediated dissociative chemisorption of three isotopes of propane (C(3)H(8), CH(3),CD(2)CH(3), and C(3)D(8)) has been investigated on the Pt(110)-(1 x 2) surface, and both the apparent activation energies and the preexponential factors of the surface reaction rate coefficients have been measured. In addition, the probabilities of primary and secondary C-H bond cleavage for alkane activation on a surface were evaluated. The activation energy for primary C-H bond cleavage was 425 calories per mole greater than that of secondary C-H bond cleavage, and the two true activation energies that embody the single measured activation energy were determined for each of the three isotopes. Secondary C-H bond cleavage is also preferred on entropic grounds, and the magnitude of the effect was quantified.     

Hydrogen as a Probe of Semiconductor Surface Structure: The Ge(111)-c(2 x 8) Surface

Hydrogen can be used as an effective probe of the structure of semiconductor surfaces. Such surfaces consist of bonds with varying degrees of bond strain, and hydrogen can react with each selectively depending on the reaction conditions. This selectivity is derived from a reduced barrier to reaction associated with strained bonds. In this manner, hydrogen can be used to pick apart the surface one bond type at a time, thereby revealing the structure of even complex multilayer reconstructions. This method is used to directly show that the rest-layer of the Ge(111)-c(2 x 8) surface has a bulk structure.     

Elementary structural motifs in a random network of cytosine adsorbed on a gold(111) surface

Nonsymmetrical organic molecules adsorbed on solid surfaces may assemble into random networks, thereby providing model systems for organic glasses that can be directly observed by scanning tunneling microscopy (STM). We investigated the structure of a disordered cytosine network on a gold(111) surface created by thermal quenching, to temperatures below 150 K, of the two-dimensional fluid present on the surface at room temperature. Comparison of STM images to density functional theory calculations allowed us to identify three elementary structural motifs (zigzag filaments and five- and six-membered rings) that underlie the whole supramolecular random network. The identification of elementary structural motifs may provide a new framework for understanding medium-range order in amorphous and glassy systems.     

Activity of CeOx and TiOx nanoparticles grown on Au(111) in the water-gas shift reaction

The high performance of Au-CeO2 and Au-TiO2 catalysts in the water-gas shift (WGS) reaction (H2O + CO-->H2 + CO2) relies heavily on the direct participation of the oxide in the catalytic process. Although clean Au(111) is not catalytically active for the WGS, gold surfaces that are 20 to 30% covered by ceria or titania nanoparticles have activities comparable to those of good WGS catalysts such as Cu(111) or Cu(100). In TiO(2-x)/Au(111) and CeO(2-x)/Au(111), water dissociates on O vacancies of the oxide nanoparticles, CO adsorbs on Au sites located nearby, and subsequent reaction steps take place at the metal-oxide interface. In these inverse catalysts, the moderate chemical activity of bulk gold is coupled to that of a more reactive oxide.     

几种土壤对铜吸持(附)特性的研究

采用等温吸附平衡法研究了几种土壤对Cu^2＋的吸持（附）特性。结果表明,土壤对Cu^2＋的吸持量、净吸持量、解吸量都随铜标准液浓度的增大而增大,在相同浓度的Cu^2＋标准液中,酸性的硅铝质黄壤、棕壤的净吸持量约是强酸性的第四纪红色黏土、黄壤的250％,碱性的菜国土、石灰土的净吸持量约是第四纪红色黏土、黄壤的300％-650％;结合使用等温吸持曲线与解吸率,能够很好地描述土壤对Cu^2＋的吸持（附）特性;土壤对Cu^2＋的吸持可用Langmuir模型、Freundlich模型及Temkin模型加以描述;最大吸持量与pH值、有机质含量呈极显著相关,与非晶质铁含量呈显著相关。     

土对十六烷基三甲基溴化铵的吸附研究

采用一次平衡法初步研究了(土娄)土对十六烷基三甲基溴化铵(CTMAB)的吸附机制.结果表明,(土娄)土对CTMAB的吸附等温线属于S型,吸附量和吸附力很大;pH增加,土壤对CTMAB的吸附量略有增加;CTMAB在土壤表面是多层吸附,以单分子或二分子缔合体的形式吸附于土壤表面;CTMAB在土壤-溶液体系的临界表面胶团浓度smc显著小于溶液体系CTMAB的临界胶团浓度cmc.     

土娄土对十六烷基三甲基溴化铵的吸附研究

采用一次平衡法初步研究了土娄土对十六烷基三甲基溴化铵(CTMAB)的吸附机制。结果表明,土娄土对CTMAB的吸附等温线属于S型,吸附量和吸附力很大;pH增加,土壤对CTMAB的吸附量略有增加;CTMAB在土壤表面是多层吸附,以单分子或二分子缔合体的形式吸附于土壤表面;CTMAB在土壤-溶液体系的临界表面胶团浓度smc显著小于溶液体系CTMAB的临界胶团浓度cmc。