Intrinsic Ligand Effect Governing the Catalytic Activity of Pd Oxide Thin Films
Journal article, 2014
High-pressure X-ray photoelectron spectroscopy, mass spectrometry, and density functional theory calculations have been combined to study methane oxidation over Pd(100). The measurements reveal a high activity when a two-layer PdO(101) oriented film is formed. Although a one-layer PdO(101) film exhibits a similar surface structure, no or very little activity is observed. The calculations show that the presence of an oxygen atom directly below the coordinatively unsaturated Pd atom in the two-layer PdO(101) film is crucial for efficient methane dissociation, demonstrating a ligand effect that may be broadly important in determining the catalytic properties of oxide thin films.
methane oxidation
palladium
(root 5 x root 5)
PdO
heterogeneous catalysis
Author
N. M. Martin
Lund University
Maxime van den Bossche
Competence Centre for Catalysis (KCK)
Chalmers, Applied Physics, Chemical Physics
Anders Hellman
Competence Centre for Catalysis (KCK)
Chalmers, Applied Physics, Chemical Physics
Henrik Grönbeck
Chalmers, Applied Physics, Chemical Physics
Competence Centre for Catalysis (KCK)
C. Hakanoglu
University of Florida
J. Gustafson
Lund University
S. Blomberg
Lund University
N. Johansson
Lund University
Z. Liu
Lawrence Berkeley National Laboratory
S. Axnanda
Lawrence Berkeley National Laboratory
Jason F. Weaver
University of Florida
E. Lundgren
Lund University
ACS Catalysis
21555435 (eISSN)
Vol. 4 10 3330-3334Driving Forces
Sustainable development
Areas of Advance
Nanoscience and Nanotechnology
Transport
Energy
Materials Science
Subject Categories
Physical Chemistry
Chemical Process Engineering
Roots
Basic sciences
Infrastructure
C3SE (Chalmers Centre for Computational Science and Engineering)
DOI
10.1021/cs5010163