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William S Johnson - One of the best experts on this subject based on the ideXlab platform.

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  • theoretical study on diffusion mechanism of Fluorine Atom adsorbed on si 111 reconstructed surface
    Surface Science, 2011
    Co-Authors: Yusuke Asari, Jun Nara, Takahisa Ohno
    Abstract:

    Abstract We study diffusion mechanisms of Fluorine Atom adsorbed on Si(111) reconstructed surface by means of the first-principles density functional calculation. Recently, it was revealed experimentally that the Fluorine diffusion is assisted by extra silicon Atoms diffusing freely on the surface, whereas the detailed mechanism of the Si assist has not been understood. We first investigate F Atom adsorption structures with and without a Si Atom and find that extra Si Atoms do not affect them. Next, we investigate the diffusion mechanism, considering four models in which extra silicon Atoms act a different role, and find that SiF-complex diffusion model with activation energy of 1.34 eV is appropriate to explain the experiment. In this model, the Si–F bond is kept during diffusion, while in the others, it repeats breaking and re-bonding. This diffusion mechanism is also understood as the Si diffusion with carrying an F Atom. We analyze why this diffusion mechanism is preferable to the others and find that two important features play roles. One is the strong Si-F bond that favors to keep the complex form, and the other is the existence of an extra silicon Atom, which takes over the adAtom position to passivate dangling bonds left behind after the SiF-complex removal.

Rudolph K Kullnig - One of the best experts on this subject based on the ideXlab platform.

S T Ceyer - One of the best experts on this subject based on the ideXlab platform.

  • Fluorine Atom abstraction by si 100 ii model
    Journal of Chemical Physics, 2000
    Co-Authors: M R Tate, D Gosalvezblanco, D P Pullman, A A Tsekouras, Y L Li, S T Ceyer
    Abstract:

    A model is developed to describe the kinetics of the three scattering channels—unreactive scattering and dissociative chemisorption via single Atom abstraction and two Atom adsorption—that are present in the interaction of F2 with Si(100). The model provides a good description of the non-Langmuirian coverage dependence of the probabilities of single Atom abstraction and two Atom adsorption, yielding insight into the dynamics of the gas–surface interaction. The statistical model is based on the premise that the two dissociative chemisorption channels share a common initial step, F Atom abstraction. The subsequent interaction, if any, of the complementary F Atom with the surface determines if the overall result is single Atom abstraction or two Atom adsorption. The results are consistent with the orientation of the incident F2 molecular axis with respect to the surface affecting the probability of single Atom abstraction relative to two Atom adsorption. A perpendicular approach favors single Atom abstractio...

  • Fluorine Atom abstraction by si 100 i experimental
    Journal of Chemical Physics, 1999
    Co-Authors: M R Tate, D Gosalvezblanco, D P Pullman, A A Tsekouras, Y L Li, J J Yang, K B Laughlin, S C Eckman, Massimo F Bertino, S T Ceyer
    Abstract:

    In the interaction of low energy F2 with Si(100) at 250 K, a dissociative chemisorption mechanism called Atom abstraction is identified in which only one of the F Atoms is adsorbed while the other F Atom is scattered into the gas phase. The dynamics of Atom abstraction are characterized via time-of-flight measurements of the scattered F Atoms. The F Atoms are translationally hyperthermal but only carry a small fraction (∼3%) of the tremendous exothermicity of the reaction. The angular distribution of F Atoms is unusually broad for the product of an exothermic reaction. These results suggest an “attractive” interaction potential between F2 and the Si dangling bond with a transition state that is not constrained geometrically. These results are in disagreement with the results of theoretical investigations implying that the available potential energy surfaces are inadequate to describe the dynamics of this gas–surface interaction. In addition to single Atom abstraction, two Atom adsorption, a mechanism anal...