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Edvin Lundgren. Portrait.

Edvin Lundgren

Professor

Edvin Lundgren. Portrait.

The Active Phase of Palladium during Methane Oxidation

Author

  • 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
Show all

Summary, in English

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.

Department/s

  • Synchrotron Radiation Research

Publishing year

2012

Language

English

Pages

678-682

Publication/Series

The Journal of Physical Chemistry Letters

Volume

3

Issue

6

Document type

Journal article

Publisher

The American Chemical Society (ACS)

Topic

  • Atom and Molecular Physics and Optics

Status

Published

ISBN/ISSN/Other

  • ISSN: 1948-7185