87 research outputs found

    Sub-surface Oxygen and Surface Oxide Formation at Ag(111): A Density-functional Theory Investigation

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    To help provide insight into the remarkable catalytic behavior of the oxygen/silver system for heterogeneous oxidation reactions, purely sub-surface oxygen, and structures involving both on-surface and sub-surface oxygen, as well as oxide-like structures at the Ag(111) surface have been studied for a wide range of coverages and adsorption sites using density-functional theory. Adsorption on the surface in fcc sites is energetically favorable for low coverages, while for higher coverage a thin surface-oxide structure is energetically favorable. This structure has been proposed to correspond to the experimentally observed (4x4) phase. With increasing O concentrations, thicker oxide-like structures resembling compressed Ag2O(111) surfaces are energetically favored. Due to the relatively low thermal stability of these structures, and the very low sticking probability of O2 at Ag(111), their formation and observation may require the use of atomic oxygen (or ozone, O3) and low temperatures. We also investigate diffusion of O into the sub-surface region at low coverage (0.11 ML), and the effect of surface Ag vacancies in the adsorption of atomic oxygen and ozone-like species. The present studies, together with our earlier investigations of on-surface and surface-substitutional adsorption, provide a comprehensive picture of the behavior and chemical nature of the interaction of oxygen and Ag(111), as well as of the initial stages of oxide formation.Comment: 17 pages including 14 figures, Related publications can be found at http://www.fhi-berlin.mpg.de/th/paper.htm

    Noble-gas ion bombardment on clean silicon surfaces

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    Under UHV conditions clean c-Si(111) surfaces have been bombarded at room temperature by noble gases (He,Ne,Ar,Kr). Using spectroscopic ellipsometry, the implantation processes were continuously recorded. A low-dose behavior (amorphization) and a high-dose behavior (dilution) are observed. After termination of the bombardment, a self-anneal behavior appears and some experiments are discussed in order to explain the observed phenomena. After applying a monotonous temperature increase up to 1100 K, the noble gas desorbs and the surface layer returns to the original state, as can be seen from a closed trajectory in the (δψ,δΔ) plane. The low-dose behavior is analyzed in the scope of a simple ellipsometric first-order approximation, and the results obtained are compared with theory. The dilution arising during the high-dose behavior can be explained ellipsometrically by means of microscopic surface roughness, and some complementary measurements are reported to verify this explanation

    The Reduction of CuO 0.67

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    The Effect of Cyclic Oxygen Adsorption and Reduction on a Silver Surface

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    Methods of Surface Analysis

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