Search results for " fine"
showing 10 items of 318 documents
The defined adsorption site of sodium on the TiO2(110)–(1×1) surface
2004
The adsorption site of sodium on the TiO2(1 1 0)–(1 × 1) surface was studied by extended X-ray absorption fine structure. For coverage ranging between 0.25 and 0.5 ML, we find that sodium is on an ‘in-between' site where it is bound to two bridging oxygen atoms at 2.25 Å and one in-plane oxygen atom at 2.40 Å, in full agreement with DFT calculations. At higher coverage the site becomes an hollow site where the sodium atom is equidistant to the three oxygen atoms at 2.30 Å, while metallic sodium clusters are also formed at the surface.
Defects in yttrium aluminium perovskite and garnet crystals: atomistic study
2000
Native and impurity point defects in both yttrium aluminium perovskite (YAP) and garnet (YAG) crystals are studied in the framework of the pair-potential approximation coupled with the shell model description of the lattice ions. The calculated formation energies for native defects suggest that the antisite disorder is preferred over the Frenkel and Schottky-like disorder in both YAP and YAG. The calculated values of the distortion caused by the antisite YAl x in the lattice turn out to be in an excellent agreement with the EXAFS measurements. In non-stoichiometric compounds, the calculated reaction energies indicate that excess Y2 O3 or Al2 O3 is most likely to be accommodated by the forma…
Synthesis, chemical characterization and preliminary in vitro antitumor activity evaluation of new ruthenium(II) complexes with sugar derivatives
2011
Abstract Three new complexes of Ru(II), namely [RuCl 2 (Glun-N,O) 2 ]Na 2 ( I ; Glun = glucosaminate), [RuCl 2 (1-Tglu)(EtOH) 2 ]Na ( II ; 1-Tglu = 1-thio-β- d -glucose) and [Ru 2 (EtOH) 6 (AL)Cl 4 ] ( III ; AL = 6′-aminolactose) were prepared from the same Ru(II) precursor, [RuCl 2 (DMSO) 4 ] (DMSO = dimethyl sulfoxide). The characterization of the complexes was carried out by elemental analysis, FT-IR, ES-MS, NMR, EXAFS and DFT calculations. The effectiveness of the complexes on metastatic melanoma A 375 was investigated. The results show that complex II is the most active species.
Digital Mosaic Frameworks - an overview
2007
Art often provides valuable hints for technological innovations especially in the field of Image Processing and Computer Graphics. In this paper we survey in a unified framework several methods to transform raster input images into good quality mosaics. For each of the major different approaches in literature the paper reports a short description and a discussion of the most relevant issues. To complete the survey comparisons among the different techniques both in terms of visual quality and computational complexity are provided.
Data from: Individual differences in selective attention predict speech identification at a cocktail party
2017
Listeners with normal hearing show considerable individual differences in speech understanding when competing speakers are present, as in a crowded restaurant. Here, we show that one source of this variance are individual differences in the ability to focus selective attention on a target stimulus in the presence of distractors. In 50 young normal-hearing listeners, the performance in tasks measuring auditory and visual selective attention was associated with sentence identification in the presence of spatially separated competing speakers. Together, the measures of selective attention explained a similar proportion of variance as the binaural sensitivity for the acoustic temporal fine stru…
Structural properties of the quaternary Heusler compound Co2 Cr1−x Fex Al
2006
Abstract The structural and chemical properties of the quaternary Heusler compound Co2 Cr1−x Fex Al were investigated comparing powder and bulk samples. The long range order was determined by means of X-ray diffraction, while the site specific (short range) order was proved by the extended X-ray absorption fine structure method (EXAFS). The chemical composition was analysed by means of X-ray photo emission spectroscopy (XPS) combined with Auger electron spectroscopy (AES) depth profiling. The results from these methods are compared to get a detailed idea about the differences between surface and bulk properties and appearance of disorder in such alloys.
Neural Network Approach for Characterizing Structural Transformations by X-Ray Absorption Fine Structure Spectroscopy
2018
AIF acknowledge support by the US Department of Energy, Office of Basic Energy Sciences under Grant No. DE-FG02 03ER15476. AIF acknowledges support by the Laboratory Directed Research and Development Program through LDRD 18-047 of Brookhaven National Laboratory under U.S. Department of Energy Contract No. DE-SC0012704 for initiating his research in machine learning methods. The help of the beamline staff at ELETTRA (project 20160412) synchrotron radiation facility is acknowledged. RMC-EXAFS and MD-EXAFS simulations were performed on the LASC cluster-type computer at Institute of Solid State Physics of the University of Latvia.
ODS steel raw material local structure analysis using X-ray absorption spectroscopy
2015
Oxide dispersion strengthened (ODS) steels are promising materials for fusion power reactors, concentrated solar power plants, jet engines, chemical reactors as well as for hydrogen production from thermolysis of water. In this study we used X-ray absorption spectroscopy at the Fe and Cr K-edges as a tool to get insight into the local structure of ferritic and austenitic ODS steels around Fe and Cr atoms and its transformation during mechanical alloying process. Using the analysis of X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) we found that for austenitic samples a transformation of ferritic steel to austenitic steel is detectable after …
Structure of Dioxygen Binding Xerogels Incorporating Cyclams Complexed with CuCl2 Salts
2005
X-ray absorption/emission spectroscopies were combined in order to elucidate how hybrid xerogels complexed with CuCl2 could bind reversibly O2. Difference EXAFS analyses at the Cu K-edge revealed the existence of binuclear structures with long Cu...Cu distances, i.e. RCu–Cu ≈ 3.98 A and 3.87 A for the oxygenated and oxygen-free xerogels. In oxygenated xerogels, dioxygen would bridge two Cu atoms in a μ-η1 : η1 peroxo-like conformation. The Cu-O signal found at short distance (RCu−O1 = 1.85 ± 0.01 A) is fully consistent with 40% of O2 molecules being chemisorbed per Cu site. In oxygen-free xerogels, Cl K-edge EXAFS revealed the presence of CuI sites with short Cl-Cu bond lengths (RCl−Cu = 2.…
High-pressure x-ray absorption study of GaTe including polarization
2000
The evolution of the local structure in GaTe under pressure is studied by x-ray absorption spectroscopy experiments at the Ga K-edge (10.368 keV) on oriented single crystals. Taking advantage of the linearly polarized character of synchrotron radiation, the pressure evolution of both the Ga-Te and the in-plane Ga-Ga bond lengths could be determined, in spite of the small amplitude of the latter. Our measurements show that both distances are much less compressible than what could be inferred from the bulk compressibility, which evidences a strong variation of Ga-Ga-Te and Te-Ga-Te angles under pressure. The Te-Te intralayer distance perpendicular to the layers is observed to increase with in…