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Adsorption of Cu and Pd on α-Al2O3(0001) surfaces with different stoichiometries (2001)

Lodziana, Z.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 115 (2001), S. 11261-11267

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: We report density functional theory calculations of the interaction of Cu and Pd with the (0001) surface of α-Al2O3. The interaction of those metals with the oxide surface varies from covalent-like for the aluminum rich surface to ionic-like for the oxygen terminated surface. Stoichiometric hydroxylation of the surface does not increase the metal–oxide interaction significantly. We suggest that defects created upon hydroxylation are the main mechanism to explain the observed metal wetting of the oxide. © 2001 American Institute of Physics.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.1421107

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Harmonics generation and chaos in scattering of phonons from anharmonic surfaces (1999)

Zieliński, P. ; Lodziana, Z. ; Srokowski, T.

Springer

The European physical journal 9 (1999), S. 525-532

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ISSN: 1434-6036

Keywords: PACS. 68.35.Ja Surface and interface dynamics and vibrations - 65.50.+m Thermodynamic properties and entropy - 79.70.+q Field emission, ionization, evaporation, and desorption

Source: Springer Online Journal Archives 1860-2000

Topics: Physics

Notes: Abstract: The effective equations of motion for a surface atom in an anharmonic surface potential have been derived for dispersionless one-dimensional substrates. The system is equivalent to a non-linear damped oscillator (Duffing oscillator) with the forcing term depending on the form of the incident wave. Efficiency of harmonics generation, phonon reflection coefficients, effective local density of states, regions of chaotic motion and windows of periodic motion have been comparatively evaluated for the system subject to an oscillating external force and to the irradiation by a monochromatic phonon coming from the bulk. Comparison of the resonant desorption of the surface atom within a given time interval has been made for the same example of anharmonic surface potential in both types of perturbation.