@article {533,
	title = {Structure determination of Cu(410)-O using X-ray diffraction and DFT calculations},
	journal = {Surface Science},
	volume = {516},
	number = {1-2},
	year = {2002},
	note = {ISI Document Delivery No.: 594AQTimes Cited: 12Cited Reference Count: 52},
	month = {Sep},
	pages = {16-32},
	type = {Article},
	abstract = {The Cu(4 1 0)-O surface, involving a 0.5 monolayer (ML) coverage of oxygen, is known to be extremely stable and a range of Cu(1 0 0) vicinal. surfaces facet to (4 1 0) in the presence of adsorbed oxygen. A new surface X-ray diffraction investigation of this surface has been conducted to determine its structure, and the detailed structural parameter values obtained are compared with the results of a density functional theory (DFT) calculation. The results show that the metal structure is unreconstructed, with the oxygen forming an overlayer with 0.25 ML O atoms at near-colinear step-edge sites and 0.25 NIL O atoms at mid-terrace hollow sites, approximately 0.6 Angstrom above the terraces. The large number of independent structural parameters potentially relevant to this vicinal surface presents a significant challenge for unique structural optimisation, but various missing row reconstruction models can be clearly excluded. Two detailed structural solutions are identified which give equally acceptable fits to the X-ray diffraction data after imposition of a Lennard-Jones penalty factor. These models differ especially in the O positions, but one is found to be more favoured by comparison with the results of the DFT calculations, and by considerations based on bond lengths and valence. Substantial relaxations from the bulk metal positions occur for the outermost Cu atoms; the ability of the vicinal surface to relax in this way may help to account for its stability compared with the missing row reconstruction induced by oxygen chemisorption on the Cu(1 0 0) surface. (C) 2002 Elsevier Science B.V. All rights reserved.},
	keywords = {ADSORPTION, and, and topography, chemisorption, copper, CU(100), DETERMINATION, DIFFRACTION, ENERGY ION-SCATTERING, INITIO MOLECULAR-DYNAMICS, MISSING-ROW, MORPHOLOGY, OXYGEN, OXYGEN-INDUCED RECONSTRUCTION, RECONSTRUCTION, reflection, relaxation and reconstruction, roughness, SCANNING-TUNNELING-MICROSCOPY, SURFACE, surface structure, SURFACE-STRUCTURE, SURFACES, VICINAL COPPER SURFACES, vicinal single crystal, WAVE BASIS-SET, X-ray scattering},
	isbn = {0039-6028},
	url = {<Go to ISI>://000178027000003},
	author = {Vlieg, E. and Driver, S. M. and Goedtkindt, P. and Knight, P. J. and Liu, W. and Ludecke, J. and Mitchell, K. A. R. and Murashov, V. and Robinson, I. K. and de Vries, S. A. and Woodruff, D. P.}
}
@article {7295,
	title = {DECOMPOSITION OF ORGANOARSENIC COMPOUNDS BY USING A MICROWAVE-OVEN AND SUBSEQUENT DETERMINATION BY FLOW-INJECTION HYDRIDE GENERATION ATOMIC-ABSORPTION SPECTROMETRY},
	journal = {Applied Organometallic Chemistry},
	volume = {6},
	number = {2},
	year = {1992},
	note = {ISI Document Delivery No.: HQ168Times Cited: 61Cited Reference Count: 33INTERNATIONAL CONF ON ENVIRONMENTAL AND BIOLOGICAL ASPECTS OF MAIN-GROUP ORGANOMETALS ( ICEBAMO )SEP 15-19, 1991PADUA, ITALYUNIV PADUA, ITALIAN CHEM SOC},
	month = {Apr},
	pages = {161-171},
	type = {Proceedings Paper},
	abstract = {Environmentally important organoarsenicals such as arsenobetaine, arsenocholine and tetramethylarsonium ion do not form volatile hydrides under the commonly used analytical conditions on treatment with borohydride and it has been difficult to determine their concentrations without further derivatization. This paper describes a rapid method which completely decomposes and oxidizes these arsenicals to arsenate by using potassium persulphate and sodium hydroxide with the aid of microwave energy. The quantitative decomposition of these species permits their determination at low nanogram levels, by hydride generation atomic absorption spectrometry (HG AA). A new hydride generator which has high efficiency and minimum dead volume and therefore is suitable for flow injection analysis (FIA) is also described. A system combining flow injection analysis, on-line microwave oven digestion, and hydride generation followed by atomic absorption measurement, is developed. This system is capable of performing analysis at a sample throughput of 100-120 per hour. Calibration curves were linear from 10 to 200 ng cm-3 of arsenic and the detection limit was 5 ng cm-3 for a 100-mu-l injection or 0.5 ng of arsenic. All ten organoarsenic compounds studied gave arsenate as the decomposition product, which was confirmed by using molybdenum blue photometric measurement.},
	keywords = {ABSORPTION SPECTROMETRY, arsenic, arsenobetaine, atomic, DECOMPOSITION, DETERMINATION, DISSOLUTION, ENVIRONMENT, FLOW INJECTION ANALYSIS, HYDRIDE GENERATION, IDENTIFICATION, LIQUID-CHROMATOGRAPHY, MICROWAVE OVEN DIGESTION, MUSCLE REFERENCE MATERIAL, QUANTITATION, TRACE-ELEMENTS, WATER},
	isbn = {0268-2605},
	url = {<Go to ISI>://A1992HQ16800008},
	author = {Le, X. C. and Cullen, W. R. and Reimer, K. J.}
}
