منابع مشابه
Effect of oxygen adsorption on the structure and spin-reorientation
The morphology, structure, and magnetism of Fe films on an oxygen-precovered, stepped Cu~1 1 25! surface are investigated by scanning tunneling microscopy, low-energy electron diffraction, and magneto-optical Kerr effect analysis. After exposure of Cu~1 1 25! to about 600 L of oxygen at 493 K, a well-ordered ~2&3&!R45° superstructure is formed. The O-induced structure has a zig-zag morphology, ...
متن کاملStructure and surface kinetics of bismuth adsorption on Si(001).
X-ray standing wave measurements, along with local-density molecular cluster calculations, were used to determine the surface structure of the low-coverage Bi/Si~001! surface. The 232 Bi phase, predicted by theory to be the stable low-coverage structure, was found experimentally to be a metastable phase and was observed to have a thermally activated irreversible phase transition to the stable 1...
متن کاملOn-surface and Subsurface Adsorption of Oxygen on Stepped Ag(210) and Ag(410) Surfaces
The adsorption of atomic oxygen and its inclusion into subsurface sites on Ag(210) and Ag(410) surfaces have been investigated using density functional theory. We find that—in the absence of adatoms on the first metal layer—subsurface adsorption results in strong lattice distortion which makes it energetically unfavoured. However subsurface sites are significantly stabilised when a sufficient a...
متن کاملOxygen adsorption and stability of surface oxides on Cu„111...: A first-principles investigation
As a first step towards gaining microscopic understanding of copper-based catalysts, e.g., for the lowtemperature water-gas shift reaction and methanol oxidation reactions, we present density-functional theory calculations investigating the chemisorption of oxygen, and the stability of surface oxides on Cu 111 . We report atomic geometries, binding energies, and electronic properties for a wide...
متن کاملOxygen adsorption on Mo(112) surface studied by ab initio genetic algorithm and experiment.
Density functional theory in combination with genetic algorithm is applied to determine the atomic models of p(1x2) and p(1x3) surface structures observed upon oxygen adsorption on a Mo(112) surface. The authors' simulations reveal an unusual flexibility of Mo(112) resulting in oxygen-induced reconstructions and lead to more stable structures than any suggested so far. Comparison of the stabili...
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ژورنال
عنوان ژورنال: The Journal of the Society of Chemical Industry, Japan
سال: 1969
ISSN: 0023-2734,2185-0860
DOI: 10.1246/nikkashi1898.72.10_2260