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  • 1990-1994  (6)
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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 2025-2035 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In this paper, we emphasize the temperature- and exposure-dependent development of low-energy electron diffraction patterns,measured quantitatively during oxidation of Ni(100) at 80 to 400 K. We find a strong temperature dependence in the development of LEED patterns associated with NiO. NiO(111) is favored by adsorption temperatures below 300 K, whereas a (7×7)-like structure is favored by adsorption temperatures of 300 to 400 K. Room temperature is a "crossover'' point between these two forms of the oxide. The final oxide depth is independent of adsorption temperature and, therefore, of epitaxial orientation, between 80 and 400 K. When the sample is heated in vacuum after adsorption, massive rearrangements take place above 500 K. Some of the nickel reverts to metallic nickel covered by a c(2×2) oxygen overlayer, and some forms NiO crystallites which are probably deeper than the initial oxide skin. Effectively, the parent oxide disproportionates into a less-oxygen-rich phase and a more-oxygen-rich phase. This is again independent of the orientation of the initial oxide epitaxy.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 9018-9025 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have investigated the diffusion of clusters on a triangular lattice using Monte Carlo simulations. A cluster is defined as a two-dimensional collection of particles which are connected to each other, either directly or indirectly through other particles in the cluster, by nearest-neighbor bonds. Each particle is allowed to hop, with probability αδb/2/(α−δb/2+αδb/2), to a vacant nearest-neighbor site with the constraint that the hop does not break the cluster. The change in the number of bonds is given by δb. The equilibrium clusters are correlated animals with structure controlled by the parameter α. We show that the diffusion coefficient of a cluster can be decomposed into two factors. One is a measure of the weighted length of the "active'' perimeter and the other is a measure of the correlation between pairs of steps taken by the cluster during its walk. The perimeter measure is asymptotically proportional to cluster size N, as anticipated for ramified animals, but it crosses over to N1/2 dependence for smaller compact clusters with α〉1. Our focus is on the accurate determination of the size and structure dependence of the correlation factor, which is more sensitive to statistical fluctuations. As a result, we describe the scaling of the cluster diffusion coefficient with cluster size.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    Journal of the American Chemical Society 114 (1992), S. 1231-1237 
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 659-663 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The geometric structure of a NiO(111) film on Ni(100) has been determined by dynamical low-energy electron-diffraction analysis. The oxide film is sufficiently thick and uniform to carry out the analysis in the bulk crystal limit. Four orientational domains of NiO(111) are present. We consider four possible terminations of the oxide film (oxygen or nickel, fcc or hcp sites). Our results indicate that the oxide film terminates with a topmost layer of oxygen in fcc sites, and exhibits a 14.8% contraction in the first interlayer spacing relative to the "bulk'' interlayer spacing of the film. The "bulk'' lattice parameters of the oxide film are found to be uniformly compressed by 2.6% relative to bulk NiO(111). Comparison with other work suggests that oxygen termination, a strong contraction in the first interlayer spacing, and retention of cubic symmetry in deeper layers may be general characteristics of unreconstructed rocksalt(111) surfaces of metal oxide films.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 98 (1994), S. 2148-2151 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 3760-3774 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The adsorption of water on Ni(110) has been studied by thermal desorption spectroscopy (TDS), work function (ΔΦ), Fourier transform infrared reflection–absorption spectroscopy (FTIR-RAS), low energy electron diffraction (LEED), and electron-stimulated desorption ion angular distribution (ESDIAD). The major findings of this study are the following: (1) Water molecules in the chemisorbed c(2×2) half-monolayer do not cluster and the plane of the molecules is highly inclined to the surface normal; (2) no ESDIAD evidence of oriented water dimers is observed at 130 K and no FTIR activity is observed following adsorption at 80 K until multilayers are populated; (3) water has been measured to partially dissociate at a minimum temperature of 205±2 K; (4)the binding energy of water to the Ni(110) surface is increased by H-bonding to adsorbed hydroxyls (produced by the partial dissociation) in a linear OH(ad)/H2O complex with planar symmetry in the [001] direction. This bonding results in a higher temperature desorption state (A1).
    Type of Medium: Electronic Resource
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