Local surface structure probed by photodissociation in the HCl MgO(001) system: quantal and classical simulations

M. Hintenender, F. Rebentrost*, R. Kosloff, R. B. Gerber

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

The photodissociation of HCl on MgO(001) is studied by classical and quantum methods. The quantum aspect resulting from the hydrogen zero-point motion is also modeled in the classical simulation and has an important influence on the dynamics through the initial distribution of tilt angles from the surface normal. The angular distribution of the scattered photofragments and the kinetic energy release of hydrogen show characteristic structures due to rainbows, scattering shadow and resonances. Information about surface potential and adsorbate geometry can be obtained from them.

Original languageEnglish
Pages (from-to)1486-1489
Number of pages4
JournalSurface Science
Volume331-333
Issue numberPART B
DOIs
StatePublished - 1 Jul 1995

Keywords

  • Computer simulations
  • HCl
  • Hydrogen
  • Low index single crystal surfaces
  • Magnesium oxides
  • Molecular dynamics
  • Photochemistry
  • Photon stimulated desorption

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