The Active Phase of Palladium during Methane Oxidation

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

Abstract

The active phase of Pd during methane oxidation is a long-standing puzzle, which, if solved, could provide routes for design of improved catalysts. Here, density functional theory and in situ surface X-ray diffraction are used to identify and characterize atomic sites yielding high methane conversion. Calculations are performed for methane dissociation over a range of Pd and PdOx surfaces and reveal facile dissociation on either under-coordinated Pd sites in PdO(101) or metallic surfaces. The experiments show unambiguously that high methane conversion requires sufficiently thick PdO(101) films or metallic Pd, in full agreement with the calculations. The established link between high activity and atomic structure enables rational design of improved catalysts.

Detaljer

Författare
  • A. Hellman
  • A. Resta
  • Natalia Martin
  • Johan Gustafson
  • A. Trinchero
  • P. -A. Carlsson
  • O. Balmes
  • R. Felici
  • R. van Rijn
  • J. W. M. Frenken
  • Jesper N Andersen
  • Edvin Lundgren
  • H. Gronbeck
Enheter & grupper
Forskningsområden

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Atom- och molekylfysik och optik
Originalspråkengelska
Sidor (från-till)678-682
TidskriftThe Journal of Physical Chemistry Letters
Volym3
Utgåva nummer6
StatusPublished - 2012
PublikationskategoriForskning
Peer review utfördJa