987 resultados para atomic resolution


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For decades it has been a well-known fact that among the few ferroelectric compounds in the perovskite family, namely, BaTiO3, KNbO3, PbTiO3, and Na1/2Bi1/2TiO3, the dielectric and piezoelectric properties of BaTiO3 are considerably higher than the others in polycrystalline form at room temperature. Further, similar to ferroelectric alloys exhibiting morphotropic phase boundary, single crystals of BaTiO3 exhibit anomalously large piezoelectric response when poled away from the direction of spontaneous polarization at room temperature. These anomalous features in BaTiO3 remained unexplained so far from the structural standpoint. In this work, we have used high-resolution synchrotron x-ray powder diffraction, atomic resolution aberration-corrected transmission electron microscopy, in conjunction with a powder poling technique, to reveal that at 300 K (i) the equilibrium state of BaTiO3 is characterized by coexistence of metastable monoclinic Pm and orthorhombic (Amm2) phases along with the tetragonal phase, and (ii) strong electric field switches the polarization direction from the 001] direction towards the 101] direction. These results suggest that BaTiO3 at room temperature is within an instability regime, and that this instability is the fundamental factor responsible for the anomalous dielectric and piezoelectric properties of BaTiO3 as compared to the other homologous ferroelectric perovskite compounds at room temperature. Pure BaTiO3 at room temperature is therefore more akin to lead-based ferroelectric alloys close to the morphotropic phase boundary where polarization rotation and field induced ferroelectric-ferroelectric phase transformations play a fundamental role in influencing the dielectric and piezoelectric behavior.

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For more than 30 years X-ray crystallography has been by far the most powerful approach for determining the structures of viruses and viral proteins at atomic resolution. The information provided by these structures, which covers many important aspects of the viral life cycle such as cell-receptor recognition, viral entry, nucleic acid transfer and genome replication, has extensively enriched our vision of the virus world. Many of the structures available correspond to potential targets for antiviral drugs against important human pathogens. This article provides an overview of the current knowledge of different structural aspects of the above-mentioned processes.

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The growth techniques which have enabled the realization of InGaN-based multi-quantum-well (MQW) structures with high internal quantum efficiencies (IQE) on 150mm (6-in.) silicon substrates are reviewed. InGaN/GaN MQWs are deposited onto GaN templates on large-area (111) silicon substrates, using AlGaN strain-mediating interlayers to inhibit thermal-induced cracking and wafer-bowing, and using a SiN x interlayer to reduce threading dislocation densities in the active region of the MQW structure. MQWs with high IQE approaching 60% have been demonstrated. Atomic resolution electron microscopy and EELS analysis have been used to study the nature of the important interface between the Si(111) substrate and the AlN nucleation layer. We demonstrate an amorphous SiN x interlayer at the interface about 2nm wide, which does not, however, prevent good epitaxy of the AlN on the Si(111) substrate. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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The probe tip is pivotal in determining the resolution and nature of features observed in the Scanning Tunnelling Microscope (STM). We have augmented a conventional Pt/Ir metallic tip with a hydrothermally grown ZnO nanowire (NW). Atomic resolution imaging of graphite is attained. Current-voltage (IV) characteristics demonstrate an asymmetry stemming from the unintentional n-type doping of the ZnO NW, whereas the expected Schottky barrier at the ZnO-Pt/Ir interface is shown to have negligible effect. Moreover the photoconductivity of the system is investigated, paving the way towards a photodetector capable of atomic resolution.

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In microelectronics, the increase in complexity and the reduction of devices dimensions make essential the development of new characterization tools and methodologies. Indeed advanced characterization methods with very high spatial resolution are needed to analyze the redistribution at the nanoscale in devices and interconnections. The atom probe tomography has become an essential analysis to study materials at the nanometer scale. This instrument is the only analytical microscope capable to produce 3D maps of the distribution of the chemical species with an atomic resolution inside a material. This technique has benefit from several instrumental improvements during last years. In particular, the use of laser for the analysis of semiconductors and insulating materials offers new perspectives for characterization. The capability of APT to map out elements at the atomic scale with high sensitivity in devices meets the characterization requirements of semiconductor devices such as the determination of elemental distributions for each device region. In this paper, several examples will show how APT can be used to characterize and understand materials and process for advanced metallization. The possibilities and performances of APT (chemical analysis of all the elements, atomic resolution, planes determination, crystallographic information...) will be described as well as some of its limitations (sample preparation, complex evaporation, detection limit, ...). The examples illustrate different aspect of metallization: dopant profiling and clustering, metallic impurities segregation on dislocation, silicide formation and alloying, high K/metal gate optimization, SiGe quantum dots, as well as analysis of transistors and nanowires. © 2013 Elsevier B.V. All rights reserved.

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Effects of the potential of anodic oxidation and of potential cycling on the surface structure of a highly oriented pyrolytic graphite (HOPG) electrode were observed by in situ electrochemical scanning tunnelling microscopy (ECSTM) in dilute H2SO4 solution with atomic resolution. With potential cycling between -0.1 V and 1.8 V vs. Ag/AgCl (sat. KCI), some atoms on the top layer of HOPG protrude out of the base plane, and the graphite lattice of these protrusions is still intact but is strained and expanded. With further potential cycling, some protrusions coalesced and some grew larger, and an anomalous superperiodic feature was observed (spacing 90 Angstrom with a rotation 30 degrees relative to atomic corrugations) which superimposed on the atomic corrugation of HOPG. On the topmost of these protrusions, some atoms form oxides and others are still resolved by the ECSTM image. With potential cycling between -0.1 V and + 2.0 V vs. Ag/AgCl (sat. KCl), damage to freshly cleaved HOPG surface is more serious and fast, some ridges are observed, the atomic structure of the HOPG surface is partially and then completely damaged due to the formation of oxide. We also found that anodic oxidation occurred nonuniformly on the surface of HOPG near defects during potential cycling.

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The early stages of the electrodeposition of nickel on highly oriented pyrolytic graphite (HOPG) were investigated by in situ scanning tunnelling microscopy, scanning electron microscopy and electrochemical measurements. Experimental results showed that t

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It is shown theoretically that LEED patterns from ordered overlayer systems bear a strong relationship to electron holograms, and that phase information is recorded in the diffraction intensities. It is, therefore, possible to obtain structural information by direct holographic inversion from conventional LEED I-V spectra.

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LOW-ENERGY electron diffraction (LEED) has become the most successful technique in surface crystallography1, but because of the complexity of the surface-electron scattering interactions, analyses of LEED data are still conducted on a trial-and-error basis: a direct-inversion method for treating LEED intensity data remains an attractive goal2. Building on recent theoretical and experimental developments in electron holography from surface structures3-16, we show here that three-dimensional images with atomic resolution can be obtained by a direct transform of conventional LEED intensity spectra.

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An exact multiple-scattering formalism is used to simulate a wave multiply scattered from a cluster, and this is used to provide a direct quantitative analysis of the influence of multiple scattering on holographic imaging. Although multiple scattering may help in identifying atomic positions in real space, we show that it does cause a loss of resolution. We also show that a filter function can considerably reduce the multiple-scattering contribution to holographic images.

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BARTON 1 has suggested that photoelectron interference patterns may be used directly as holograms to obtain atomic-resolution images of surface structures. Bulk structures have been obtained previously by this means from experimental patterns of high-energy Kikuchi(quasi-elastically scattered) and Auger electrons 2,3. Here we test the feasibility of this technique for determination of surface structures using Auger intensity patterns obtained 4,5 from iodine chemisorbed on a pseudomorphic silver monolayer on Pt{111}. By direct numerical holographic inversion, we obtain three-dimensional images which show that iodine adatoms are located in hollows of 3-fold symmetry on the surface. The images yield the site symmetry with good atomic resolution in the surface plane, but suffer from poor resolution along the Ag-I axis. We anticipate that data with better angular resolution obtained at low temperatures would improve the spatial resolution of such images.

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We break down photoelectron diffraction intensities into four terms in analogy to optical holography and discuss the effect of each term on reconstructed images. The second term involving products of scattered waves SIGMA-SIGMA-O(i)O(j)*, is in this case not structure-less. Theoretical analysis and simulations demonstrate that this term may lead to spurious features in real space images in holographic transforms of medium energy electron diffraction patterns. If it is small enough the problem may be overcome by an iterative correction process.

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Nonstructural protein 4B (NS4B) plays an essential role in the formation of the hepatitis C virus (HCV) replication complex. It is a relatively poorly characterized integral membrane protein predicted to comprise four transmembrane segments in its central portion. Here, we describe a novel determinant for membrane association represented by amino acids (aa) 40 to 69 in the N-terminal portion of NS4B. This segment was sufficient to target and tightly anchor the green fluorescent protein to cellular membranes, as assessed by fluorescence microscopy as well as membrane extraction and flotation analyses. Circular dichroism and nuclear magnetic resonance structural analyses showed that this segment comprises an amphipathic alpha-helix extending from aa 42 to 66. Attenuated total reflection infrared spectroscopy and glycosylation acceptor site tagging revealed that this amphipathic alpha-helix has the potential to traverse the phospholipid bilayer as a transmembrane segment, likely upon oligomerization. Alanine substitution of the fully conserved aromatic residues on the hydrophobic helix side abrogated membrane association of the segment comprising aa 40 to 69 and disrupted the formation of a functional replication complex. These results provide the first atomic resolution structure of an essential membrane-associated determinant of HCV NS4B.

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Les protéines sont au coeur de la vie. Ce sont d'incroyables nanomachines moléculaires spécialisées et améliorées par des millions d'années d'évolution pour des fonctions bien définies dans la cellule. La structure des protéines, c'est-à-dire l'arrangement tridimensionnel de leurs atomes, est intimement liée à leurs fonctions. L'absence apparente de structure pour certaines protéines est aussi de plus en plus reconnue comme étant tout aussi cruciale. Les protéines amyloïdes en sont un exemple marquant : elles adoptent un ensemble de structures variées difficilement observables expérimentalement qui sont associées à des maladies neurodégénératives. Cette thèse, dans un premier temps, porte sur l'étude structurelle des protéines amyloïdes bêta-amyloïde (Alzheimer) et huntingtine (Huntington) lors de leur processus de repliement et d'auto-assemblage. Les résultats obtenus permettent de décrire avec une résolution atomique les interactions des ensembles structurels de ces deux protéines. Concernant la protéine bêta-amyloïde (AB), nos résultats identifient des différences structurelles significatives entre trois de ses formes physiologiques durant ses premières étapes d'auto-assemblage en environnement aqueux. Nous avons ensuite comparé ces résultats avec ceux obtenus au cours des dernières années par d'autres groupes de recherche avec des protocoles expérimentaux et de simulations variés. Des tendances claires émergent de notre comparaison quant à l'influence de la forme physiologique de AB sur son ensemble structurel durant ses premières étapes d'auto-assemblage. L'identification des propriétés structurelles différentes rationalise l'origine de leurs propriétés d'agrégation distinctes. Par ailleurs, l'identification des propriétés structurelles communes offrent des cibles potentielles pour des agents thérapeutiques empêchant la formation des oligomères responsables de la neurotoxicité. Concernant la protéine huntingtine, nous avons élucidé l'ensemble structurel de sa région fonctionnelle située à son N-terminal en environnement aqueux et membranaire. En accord avec les données expérimentales disponibles, nos résultats sur son repliement en environnement aqueux révèlent les interactions dominantes ainsi que l'influence sur celles-ci des régions adjacentes à la région fonctionnelle. Nous avons aussi caractérisé la stabilité et la croissance de structures nanotubulaires qui sont des candidats potentiels aux chemins d'auto-assemblage de la région amyloïde de huntingtine. Par ailleurs, nous avons également élaboré, avec un groupe d'expérimentateurs, un modèle détaillé illustrant les principales interactions responsables du rôle d'ancre membranaire de la région N-terminal, qui sert à contrôler la localisation de huntingtine dans la cellule. Dans un deuxième temps, cette thèse porte sur le raffinement d'un modèle gros-grain (sOPEP) et sur le développement d'un nouveau modèle tout-atome (aaOPEP) qui sont tous deux basés sur le champ de force gros-grain OPEP, couramment utilisé pour l'étude du repliement des protéines et de l'agrégation des protéines amyloïdes. L'optimisation de ces modèles a été effectuée dans le but d'améliorer les prédictions de novo de la structure de peptides par la méthode PEP-FOLD. Par ailleurs, les modèles OPEP, sOPEP et aaOPEP ont été inclus dans un nouveau code de dynamique moléculaire très flexible afin de grandement simplifier leurs développements futurs.

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Model catalysts of Pd nanoparticles and films on TiO2 (I 10) were fabricated by metal vapour deposition (MVD). Molecular beam measurements show that the particles are active for CO adsorption, with a global sticking probability of 0.25, but that they are deactivated by annealing above 600 K, an effect indicative of SMSI. The Pd nanoparticles are single crystals oriented with their (I 11) plane parallel to the surface plane of the titania. Analysis of the surface by atomic resolution STM shows that new structures have formed at the surface of the Pd nanoparticles and films after annealing above 800 K. There are only two structures, a zigzag arrangement and a much more complex "pinwheel" structure. The former has a unit cell containing 7 atoms, and the latter is a bigger unit cell containing 25 atoms. These new structures are due to an overlayer of titania that has appeared on the surface of the Pd nanoparticles after annealing, and it is proposed that the surface layer that causes the SMSI effect is a mixed alloy of Pd and Ti, with only two discrete ratios of atoms: Pd/Ti of 1: 1 (pinwheel) and 1:2 (zigzag). We propose that it is these structures that cause the SMSI effect. (c) 2005 Elsevier Inc. All rights reserved.