Observation of metastable structural excitations and concerted atomic motions on a crystal surface

The addition of a small number of lead atoms to a germanium(111) surface reduces the energy barrier for activated processes, and with a tunneling microscope it is possible to observe concerted atomic motions and metastable structures on this surface near room temperature. The formation and annihilation of these metastable structural surface excitations is associated with the shift in position of large numbers of germanium surface atoms along a specific row direction like beads on an abacus. The effect provides a mechanism for understanding the transport of atoms on a semiconductor surface.     

Molybdenum disulfide in the poorly crystalline "rag" structure

Molybdenum disulfide has been prepared in an unusual poorly crystalline form, termed the "rag" structure, consisting of several stacked but highly folded and disordered S-Mo-S layers. This previously unknown structure demonstrates the flexible and macromolecular nature of the layered transition metal dichalcogenides. The determination of this structure provides a basis for understanding its highly broadened x-ray diffraction pattern and relatively low surface area, and is a starting point for optimizing the catalytic and surface properties of molybdenum disulfide.     

基于遥感影像的马雷绿洲空间热环境分布特征研究

绿洲空间热环境的研究是深入了解绿洲沙漠化变化机理的重要手段。以土库曼斯坦马雷绿洲为例,将Landsat TM/ETM+作为基础数据源,基于定量遥感分析方法,进行马雷绿洲地表温度以及植被覆盖度的反演,在统计地表温度—植被覆盖度二维散点图的基础上,研究地表温度与植被覆盖度的相关关系。结果表明:土地利用类型是影响地表温度的显著因素,基本决定地表温度的总体分布的是土地利用类型的分布;通过对地表温度以及植被覆盖度相关性的研究,得到2001及2010年的相关系数分别为0.677 8、0.665 0。     

Single-molecule vibrational spectroscopy and microscopy

Vibrational spectra for a single molecule adsorbed on a solid surface have been obtained with a scanning tunneling microscope (STM). Inelastic electron tunneling spectra for an isolated acetylene (C2H2) molecule adsorbed on the copper (100) surface showed an increase in the tunneling conductance at 358 millivolts, resulting from excitation of the C-H stretch mode. An isotopic shift to 266 millivolts was observed for deuterated acetylene (C2D2). Vibrational microscopy from spatial imaging of the inelastic tunneling channels yielded additional data to further distinguish and characterize the two isotopes. Single-molecule vibrational analysis should lead to better understanding and control of surface chemistry at the atomic level.     

Molecular transformations on single crystal metal surfaces

One of the primary objectives of modern surface chemistry of transition metals is the synthesis of surface compounds and complexes and the understanding of their reactivity, structure, and bonding. Such considerations are paramount for advancing understanding of catalysis, adhesion, organic thin-film growth, and electrocatalysis. On selected metals, particularly copper, silver, and gold, selective scission of X-H bonds (where X is oxygen, carbon, nitrogen, or sulfur) by surface-bound atomic oxygen occurs to form moderately stable species that can be isolated for further study. Selective oxidation reactions may occur heterogeneously by means of this novel oxygen- activated route. Furthermore, this selective chemistry offers a paradigm for synthesis of a wide variety of surface organometallic complexes, whose formation can be predicted from acid-base principles. These subjects are discussed in this article with emphasis on their role in catalytic oxidation cycles.     

Structure of the hydrated alpha-Al(2)O(3) (0001) surface

The physical and chemical properties of the hydrated alpha-Al(2)O(3) (0001) surface are important for understanding the reactivity of natural and synthetic aluminum-containing oxides. The structure of this surface was determined in the presence of water vapor at 300 kelvin by crystal truncation rod diffraction at a third-generation synchrotron x-ray source. The fully hydrated surface is oxygen terminated, with a 53% contracted double Al layer directly below. The structure is an intermediate between alpha-Al(2)O(3) and gamma-Al(OH)(3), a fully hydroxylated form of alumina. A semiordered oxygen layer about 2.3 angstroms above the terminal oxygen layer is interpreted as adsorbed water. The clean alpha-Al(2)O(3) (0001) surface, in contrast, is Al terminated and significantly relaxed relative to the bulk structure. These differences explain the different reactivities of the clean and hydroxylated surfaces.     

New approaches to surface structure determinations

Progress in understanding the many scientifically interesting and technologically important processes that occur at surfaces has been slowed by the absence of basic structural information. A variety of new techniques are being developed to attack this central problem in surface science. With the new surface probes it is now possible to quantitatively determine the arrangement of atoms in the first monolayers of a solid. This provides the basis for exciting advances in surface science.     

Near--Atomic Resolution Imaging of Ferroelectric Liquid Crystal Molecules on Graphite by STM

Near-atomic resolution images of a two-dimensional heteroepitaxial crystal composed of the relatively "functionally rich" chiral liquid crystal mesogen MDW 74 on graphite have been obtained by scanning tunneling microscopy (STM). This work is aimed at developing an improved understanding of the commercially crucial phenomenon of liquid crystal alignment by studying well-characterized surfaces. Herein is reported molecular-level characterization of the surface underlying a ferroelectric liquid crystal in situ, a requisite starting point for understanding the liquid crystal-solid interface at the molecular level. The results are also important in the context of developing a model for the molecular. origins of the contrast observed in STM images of organic monolayers on conductor surfaces. The data and analysis provide strong evidence that neither frontier orbital alone (highest occupied or lowest unoccupied molecular orbital) is sufficient to describe the observed tunneling efficiency.     

Direct visualization of the formation of single-molecule conjugated copolymers

Electrochemical polymerization of two different kinds of thiophene monomers on an iodine-covered gold surface created highly assembled conjugated copolymers with different electronic structures. A scanning tunneling microscope revealed images of several linkage types: diblock, triblock, and multiblock. The single strand of conjugated copolymers exhibited an anomalous swinging motion on the surface. This technique presents the possibility of understanding the copolymerization process from the different monomers on the single-molecular scale and of building single-molecule superlattices on a surface through controlled electropolymerization.     

Electron localization determines defect formation on ceria substrates

The high performance of ceria (CeO2) as an oxygen buffer and active support for noble metals in catalysis relies on an efficient supply of lattice oxygen at reaction sites governed by oxygen vacancy formation. We used high-resolution scanning tunneling microscopy and density functional calculations to unravel the local structure of surface and subsurface oxygen vacancies on the (111) surface. Electrons left behind by released oxygen localize on cerium ions. Clusters of more than two vacancies exclusively expose these reduced cerium ions, primarily by including subsurface vacancies, which therefore play a crucial role in the process of vacancy cluster formation. These results have implications for our understanding of oxidation processes on reducible rare-earth oxides.     

Dynamics of the reaction of methane with chlorine atom on an accurate potential energy surface

The reaction of the chlorine atom with methane has been the focus of numerous studies that aim to test, extend, and/or modify our understanding of mode-selective reactivity in polyatomic systems. To this point, theory has largely been unable to provide accurate results in comparison with experiments. Here, we report an accurate global potential energy surface for this reaction. Quasi-classical trajectory calculations using this surface achieve excellent agreement with experiment on the rotational distributions of the hydrogen chloride (HCl) product. For the Cl + CHD(3) → HCl + CD(3) reaction at low collision energies, we confirm the unexpected experimental finding that CH-stretch excitation is no more effective in activating this late-barrier reaction than is the translational energy, which is in contradiction to expectations based on results for many atom-diatom reactions.     

Epitaxial growth and the art of computer simulations

The results of kinetic simulations of the aggregates formed during the deposition of atoms on a semiconductor surface are reviewed. Because the kinetic parameters are poorly known and the accuracy of the existing interatomic potentials has not been sufficiently tested, the goal has been to reach a qualitative understanding of the formation of unusual patterns during growth, such as the segregation of aluminum during the growth of aluminum-gallium-arsenide (AlGaAs) coherent tilted superlattices and the formation of thin, long, and parallel islands during the deposition of Si on an Si(100) surface. Kinetic mechanisms for these phenomena are proposed.     

Bacteria use type IV pili to walk upright and detach from surfaces

Bacterial biofilms are structured multicellular communities involved in a broad range of infections. Knowing how free-swimming bacteria adapt their motility mechanisms near surfaces is crucial for understanding the transition between planktonic and biofilm phenotypes. By translating microscopy movies into searchable databases of bacterial behavior, we identified fundamental type IV pili-driven mechanisms for Pseudomonas aeruginosa surface motility involved in distinct foraging strategies. Bacteria stood upright and "walked" with trajectories optimized for two-dimensional surface exploration. Vertical orientation facilitated surface detachment and could influence biofilm morphology.     

Electron transfer-induced dynamics of oxygen molecules on the TiO2(110) surface

Diffusion of oxygen molecules on transition metal oxide surfaces plays a vital role for the understanding of catalysis and photocatalysis on these materials. By means of time-resolved scanning tunneling microscopy, we provide evidence for a charge transfer-induced diffusion mechanism for O2 molecules adsorbed on a rutile TiO2(110) surface. The O2 hopping rate depended on the number of surface donors (oxygen vacancies), which determines the density of conduction band electrons. These results may have implications for the understanding of oxidation processes on metal oxides in general.     

Observation of long supershear rupture during the magnitude 8.1 Kunlunshan earthquake

The 2001 Kunlunshan earthquake was an extraordinary event that produced a 400-km-long surface rupture. Regional broadband recordings of this event provide an opportunity to accurately observe the speed at which a fault ruptures during an earthquake, which has important implications for seismic risk and for understanding earthquake physics. We determined that rupture propagated on the 400-km-long fault at an average speed of 3.7 to 3.9 km/s, which exceeds the shear velocity of the brittle part of the crust. Rupture started at sub-Rayleigh wave velocity and became supershear, probably approaching 5 km/s, after about 100 km of propagation.     

基于ETM+数据的新疆于田地区地表温度反演研究

地表温度是地球系统的热状况与水热平衡的关键因子.热红外遥感是获取地表热状况信息的一种非常重要的手段.利用ETM+数据和同时相气象数据获得两个地表温度反演的重要参数:大气透射率和地表比辐射率.运用覃志豪等的单窗算法反演出于田地区的地表温度,并用陆面实际地表温度进行了检验.结果表明,水体表面温度最低,绿洲次之,戈壁最高.地表温度以绿洲为中心从里到外呈环状分布.说明利用ETM+数据反演地表温度是可行的 .并对进一步理解我国西北干旱、半干旱区的土壤-植被-大气系统能量交换状况及区域热量分布差异有着重要意义.     

First principles determination of the effects of phosphorus and boron on iron grain boundary cohesion

Toward an electronic level understanding of intergranular embrittlement and its control in steels, the effects of phosphorus and boron impurities on the energy and electronic properties of both an iron grain boundary and its corresponding intergranular fracture surface are investigated by the local density full potential augmented plane wave method. When structural relaxations are taken into account, the calculated energy difference of phosphorus in the two environments is consistent with its measured embrittlement potency. In contrast to the nonhybridized interaction of iron and phosphorus, iron-boron hybridization permits covalent bonding normal to the boundary contributing to cohesion enhancement. Insights into bonding behavior offer the potential for new directions in alloy composition for improvement of grain boundary-sensitive properties.     

Biomaterial-centered infection: microbial adhesion versus tissue integration

Biomaterials are being used with increasing frequency for tissue substitution. Complex devices such as total joint replacements and the total artificial heart represent combinations of polymers and metal alloys for system and organ replacement. The major barriers to the extended use of these devices are the possibility of bacterial adhesion to biomaterials, which causes biomaterial-centered infection, and the lack of successful tissue integration or compatibility with biomaterial surfaces. Interactions of biomaterials with bacteria and tissue cells are directed not only by specific receptors and outer membrane molecules on the cell surface, but also by the atomic geometry and electronic state of the biomaterial surface. An understanding of these mechanisms is important to all fields of medicine and is derived from and relevant to studies in microbiology, biochemistry, and physics. Modifications to biomaterial surfaces at an atomic level will allow the programming of cell-to-substratum events, thereby diminishing infection by enhancing tissue compatibility or integration, or by directly inhibiting bacterial adhesion.     

Low-Energy Electron Diffraction: Improved experimental methods provide new information on the structure of surfaces of solids

This discussion of a few preliminary experiments with nickel points out some of the potential uses of low energy electron diffraction in improving our understanding of many types of surface phenomena. The first, and probably the most basic use, is in the study of clean surfaces. As illustrated in this article, the physical properties of the surface layer of atoms may be totally unlike those in the bulk of the crystal. It is necessary to understand such phenomena before a thorough understanding of chemical effects on surfaces can be achieved. The adsorption of gases, oxidation and corrosion, and the formation of epitaxial layers can all be studied in great detail by low energy electron diffraction.     

Radar reflectivity of titan

The present understanding of the atmosphere and surface conditions on Saturn's largest moon, Titan, including the stability of methane, and an application of thermodynamics leads to a strong prediction of liquid hydrocarbons in an ethane-methane mixture on the surface. Such a surface would have nearly unique microwave reflection properties due to the low dielectric constant. Attempts were made to obtain reflections at a wavelength of 3.5 centimeters by means of a 70-meter antenna in California as the transmitter and the Very Large Array in New Mexico as the receiving instrument. Statistically significant echoes were obtained that show Titan is not covered with a deep, global ocean of ethane, as previously thought. The experiment yielded radar cross sections normalized by the Titan disk of 0.38 +/- 0.15, 0.78 +/- 0.15, and 0.25 +/- 0.15 on three consecutive nights during which the sub-Earth longitude on Titan moved 50 degrees. The result for the combined data for the entire experiment is 0.35 +/- 0.08. The cross sections are very high, most consistent with those of the Galilean satellites; no evidence of the putative liquid ethane was seen in the reflection data. A global ocean as shallow as about 200 meters would have exhibited reflectivities smaller by an order of magnitude, and below the detection limit of the experiment. The measured emissivity at similar wavelengths of about 0.9 is somewhat inconsistent with the high reflectivity.