The Active Phase of Palladium during Methane Oxidation
Journal article, 2012
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.
Author
Anders Hellman
Chalmers, Applied Physics, Chemical Physics
Competence Centre for Catalysis (KCK)
Andrea Resta
Natalia Mihaela Martin
Johan Gustafson
Adriana Trinchero
Competence Centre for Catalysis (KCK)
Chalmers, Applied Physics, Chemical Physics
Per-Anders Carlsson
Competence Centre for Catalysis (KCK)
Olivier Balmes
Roberto Felici
Richard van Rijn
Joost Frenken
Jesper Andersen
Edvin Lundgren
Henrik Grönbeck
Chalmers, Applied Physics, Chemical Physics
Competence Centre for Catalysis (KCK)
Journal of Physical Chemistry Letters
1948-7185 (eISSN)
Vol. 3 6 678-682Driving Forces
Sustainable development
Areas of Advance
Nanoscience and Nanotechnology
Transport
Energy
Materials Science
Subject Categories
Chemical Process Engineering
Condensed Matter Physics
Roots
Basic sciences
Infrastructure
C3SE (Chalmers Centre for Computational Science and Engineering)
DOI
10.1021/jz300069s