Skip to main content
Journal cover image

Unified picture of the molecular adsorption process: O2/Pt(1 1 1)

Publication ,  Journal Article
Groß, A; Eichler, A; Hafner, J; Mehl, MJ; Papaconstantopoulos, DA
Published in: Surface Science
August 1, 2003

Tight-binding molecular dynamics simulations of the adsorption of O2/Pt(1 1 1) have been performed based on an ab initio potential energy surface. We demonstrate that, contrary to common belief, in this system the whole adsorption probability as a function of the kinetic energy can be understood in terms of trapping into chemisorbed molecular precursor states. This provides a novel unified picture of the trapping process which is relevant for the general understanding of adsorption. Furthermore, by simple steric arguments we are able to explain why O2 does not dissociate on cold Pt(1 1 1) surfaces even at kinetic energies that are much greater than the dissociation barrier. © 2003 Elsevier B.V. All rights reserved.

Duke Scholars

Published In

Surface Science

DOI

ISSN

0039-6028

Publication Date

August 1, 2003

Volume

539

Issue

1-3

Related Subject Headings

  • Chemical Physics
  • 5108 Quantum physics
  • 5104 Condensed matter physics
  • 3406 Physical chemistry
  • 0306 Physical Chemistry (incl. Structural)
  • 0206 Quantum Physics
  • 0204 Condensed Matter Physics
 

Citation

APA
Chicago
ICMJE
MLA
NLM
Groß, A., Eichler, A., Hafner, J., Mehl, M. J., & Papaconstantopoulos, D. A. (2003). Unified picture of the molecular adsorption process: O2/Pt(1 1 1). Surface Science, 539(1–3). https://doi.org/10.1016/S0039-6028(03)00791-X
Groß, A., A. Eichler, J. Hafner, M. J. Mehl, and D. A. Papaconstantopoulos. “Unified picture of the molecular adsorption process: O2/Pt(1 1 1).” Surface Science 539, no. 1–3 (August 1, 2003). https://doi.org/10.1016/S0039-6028(03)00791-X.
Groß A, Eichler A, Hafner J, Mehl MJ, Papaconstantopoulos DA. Unified picture of the molecular adsorption process: O2/Pt(1 1 1). Surface Science. 2003 Aug 1;539(1–3).
Groß, A., et al. “Unified picture of the molecular adsorption process: O2/Pt(1 1 1).” Surface Science, vol. 539, no. 1–3, Aug. 2003. Scopus, doi:10.1016/S0039-6028(03)00791-X.
Groß A, Eichler A, Hafner J, Mehl MJ, Papaconstantopoulos DA. Unified picture of the molecular adsorption process: O2/Pt(1 1 1). Surface Science. 2003 Aug 1;539(1–3).
Journal cover image

Published In

Surface Science

DOI

ISSN

0039-6028

Publication Date

August 1, 2003

Volume

539

Issue

1-3

Related Subject Headings

  • Chemical Physics
  • 5108 Quantum physics
  • 5104 Condensed matter physics
  • 3406 Physical chemistry
  • 0306 Physical Chemistry (incl. Structural)
  • 0206 Quantum Physics
  • 0204 Condensed Matter Physics