Molecularly chemisorbed intermediate state to oxygen adsorption on Pd{1 1 0}

P. Junell, K. Honkala, Mika Hirsimäki, Mika Valden*, K. Laasonen

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

15 Citations (Scopus)

Abstract

Translational energy (E T) dependence of oxygen (O 2) adsorption on Pd{1 1 0} has been investigated with molecular beam surface scattering (MBSS) experiments. The initial sticking probability (S 0) and adsorption kinetics of oxygen are shown to depend strongly on E T of the incident molecule. An inverse surface temperature dependence of S 0 is also observed at low translational energies. Using density-functional theory calculations several O 2 adsorption potential energy curves (PECs) on Pd{1 1 0} were determined. Direct adsorption PECs with an activation barrier and two PECs with a molecular chemisorption state were found. Both experimental and theoretical results indicate a twofold adsorption mechanism. At low E T molecules end up in a very attractive molecularly chemisorbed precursor state from which they eventually dissociate. At higher E T more molecules begin to dissociate via a direct activated adsorption channel.

Original languageEnglish
Pages (from-to)L797-L802
Number of pages6
JournalSurface Science
Volume546
Issue number2-3
DOIs
Publication statusPublished - 1 Dec 2003
MoE publication typeA1 Journal article-refereed

Keywords

  • Ab initio quantum chemical methods and calculations
  • Chemisorption
  • Molecule-solid scattering and diffraction - inelastic
  • Oxygen
  • Palladium
  • Surface chemical reaction

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