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The Active Phase of Palladium during Methane Oxidation

Anders Hellman (Kompetenscentrum katalys (KCK) ; Institutionen för teknisk fysik, Kemisk fysik) ; Andrea Resta ; Natalia Martin ; Johan Gustafson ; Adriana Trinchero (Kompetenscentrum katalys (KCK) ; Institutionen för teknisk fysik, Kemisk fysik) ; Per-Anders Carlsson (Kompetenscentrum katalys (KCK)) ; Olivier Balmes ; Roberto Felici ; Richard van Rijn ; Joost Frenken ; Jesper Andersen ; Edvin Lundgren ; Henrik Grönbeck (Kompetenscentrum katalys (KCK) ; Institutionen för teknisk fysik, Kemisk fysik)
The Journal of Physical Chemistry Letters (1948-7185). Vol. 3 (2012), 6, p. 678-682.
[Artikel, refereegranskad vetenskaplig]

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.



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Denna post skapades 2012-03-13. Senast ändrad 2015-03-30.
CPL Pubid: 155849

 

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