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  • 1
    Electronic Resource
    Electronic Resource
    Surface-Bound Ketenylidene (CCO) from Acetone Decomposition on Ag{111}-p(4.times.4)-O (1995)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 117 (1995), S. 10583-10584 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00147a025
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  • 2
    Electronic Resource
    Electronic Resource
    Effect of surface acoustic waves on activity in heterogeneous catalysis (1995)
    Springer
    Applied physics 61 (1995), S. 243-251 
    Details
    ISSN: 1432-0630
    Keywords: 82.20 ; 82.65 ; 62.00
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract A synopsis of the recent developments in acoustically influencing and controlling gas-surface interactions is presented. The cleaning effect of ultrasound and its surface activation play an important role for the sonochemical enhancement of reactivity in chemical processes involving solid and liquid phases. So far, there have only been a few studies on the effects of surface acoustic waves on surface chemical reactions under high-vacuum conditions by the application of piezoelectric surface acoustic wave transducers. Very recently, metal films deposited between InterDigital Transducer (IDT) electrodes on a LiNbO3 substrate have shown a significant inerease in catalytic activity during surface acoustic excitation and Edge-Bonded Transducers (EBT) with a metal single crystal as a substrate have been used to acoustically influence the rate in the oscillatory reaction for CO oxidation. Tunable narrowband surface acoustic excitation is anticipated to be an efficient route to control catalytic processes, and in our work this approach is being used to investigate the physical basis of this process.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01538189
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  • 3
    Electronic Resource
    Electronic Resource
    Raman-ultraviolet optical double resonance spectroscopy in gas-phase acetylene (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 7994-7995 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457218
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  • 4
    Electronic Resource
    Electronic Resource
    Facile H–D exchange in adsorbed methylidyne on Pt{110}–(1×2) and deuteration to gaseous methane (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 11306-11316 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Hydrogen–deuterium exchange in adsorbed methylidyne, CHa, on Pt{110}–(1×2) has been studied for the first time using supersonic D2/H2 molecular beams, which provides new insights into the reversible hydrogenation of adsorbed hydrocarbon fragments. The exchange reaction is extremely facile at surface temperatures of 350–450 K and proceeds via a Langmuir–Hinshelwood reaction between Da and a CHa fragment to produce gas phase H2 and HD. The CDa+Ha (i.e., reverse) reaction was also studied and was found to proceed more slowly. Both exchange reactions were successfully modeled and the difference in reaction rates is explained using zero point energy differences alone. Finally, we demonstrate that with high incident D2 fluxes CHa can be completely deuterated to produce gaseous CHD3 and CD4. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1410387
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  • 5
    Electronic Resource
    Electronic Resource
    Symmetry and site selectivity in molecular chemisorption: Benzene on Ni{111} (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 5765-5773 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We discuss the results of large-scale density functional calculations for (7×7) benzene adsorption on the ferromagnetic substrate Ni{111}. Adsorption at the bridge site, with C–C bonds parallel to the [2¯11] direction, is found to be energetically preferred over the [1¯10]-oriented hcp site suggested by electron diffraction experiments. We discuss the roles of intermolecular forces and anisotropic molecular vibrations in accounting for this apparent discrepancy. Furthermore, our analysis of charge and spin densities clarifies the relationship between preferred adsorption sites and the symmetry of frontier molecular orbitals. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1353856
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  • 6
    Electronic Resource
    Electronic Resource
    Unusual bridged site for adsorbed oxygen adatoms: Theory and experiment for Ir{100}–(1×2)–O (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 10460-10466 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The structure of oxygen adsorbed on Ir{100} has been determined by density functional theory slab calculations and quantitative low energy electron diffraction. The two studies produce essentially identical results, experiment providing a benchmark for the first principles calculation, while the latter provides a more complete understanding of the structure. Oxygen forms a (1×2) overlayer with adsorption on the bridge site: an unusual result for oxygen. There is a significant row pairing of the iridium atoms in the surface layer which strongly stabilizes the structure, and is one of the main factors favoring the bridge site occupation and the (1×2) configuration. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481709
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  • 7
    Electronic Resource
    Electronic Resource
    Long-range ordering of methylidyne on Pt{110}(1×2) (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 3951-3955 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A c(2×4) LEED pattern is observed for methylidyne (CH) chemisorbed on Pt{110}(1×2) at a saturation coverage of 0.25 ML. Density functional calculations reveal that methylidyne is preferentially adsorbed in the fcc three-fold hollow site on the {111} microfacet of the reconstructed surface. A structure for the ordered overlayer is thus proposed, and both through-metal and through-space interactions are considered as possible causes for this unexpected long-range coherence. We argue that entropic effects may be implicated. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1483847
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  • 8
    Electronic Resource
    Electronic Resource
    Benzene adsorption on Ir{100} studied by low-energy electron diffraction I–V analysis: Evidence for formation of tilted benzyne (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 114 (2001), S. 9539-9548 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In order to increase understanding of the structure and bonding of aromatic molecules and their fragments on transition metal surfaces, a low-energy electron diffraction (LEED) study of benzene adsorption on Ir{100} has been carried out. Following benzene adsorption at 465 K, a c(2×4) LEED pattern is observed. Its formation is accompanied by the loss of two hydrogen atoms as H2, indicating that benzyne (C6H4) is formed. This is the first time an ordered overlayer of benzyne has been observed on a transition metal surface. It makes the structure accessible to LEED I–V analysis, providing the most reliable structural information for benzyne adsorbed on a transition metal surface to date. The benzyne species was found to be di-σ bonded to the bridge site with a 47° tilt angle to the surface normal. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1355768
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  • 9
    Electronic Resource
    Electronic Resource
    Reaction of gaseous oxygen with adsorbed carbon on Pt{110}(1×2) (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 1937-1945 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The C oxidation reaction on Pt{110}(1×2) has been investigated using molecular beam techniques. The reaction products are CO and CO2. As the surface temperature is increased from 550 to 750 K, the proportion of CO2 produced decreases from ∼50% to 〈1%. When oxygen first impinges on the surface, the formation rate of CO is observed to rise immediately (≤0.1 s), and then rise more slowly to a maximum before decreasing sharply as the C adlayer is depleted. The production of CO2 is initiated after a measurable delay. Angle-resolved product distribution measurements demonstrate that CO desorbs in a sharp lobe centered at an angle of 32° to the surface normal, fitted to cosn(θ−32), where n=50±5. The C oxidation reaction site is identified with the (111) microfacets. It is concluded that two processes are operative, a Langmuir–Hinshelwood mechanism and a reaction in which CO is impulsively desorbed. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.480822
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  • 10
    Electronic Resource
    Electronic Resource
    The formation of subsurface oxygen on Pt{110} (1×2) from molecular-beam-generated O2 1Δg (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 8631-8636 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: An unusually high-peak-temperature desorption state of O2 from Pt{110} (1×2) has been characterized in temperature programmed desorption spectra after O2 adsorption from a supersonic beam at a translational energy of 190 meV and at nozzle temperatures, Tn, greater than 870 K. It shows the characteristics of a subsurface atomic state of oxygen. From the nozzle temperature dependence of the rate of population of this state we conclude that it is formed exclusively from electronically excited O2 1Δg generated in the molecular beam source. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481463
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