Intrinsic Ligand Effect Governing the Catalytic Activity of Pd Oxide Thin Films
Artikel i vetenskaplig tidskrift, 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
PdO
heterogeneous catalysis
(root 5 x root 5)
palladium
Författare
N. M. Martin
Lunds Universitet
Maxime van den Bossche
Chalmers, Teknisk fysik, Kemisk fysik
Kompetenscentrum katalys (KCK)
Anders Hellman
Chalmers, Teknisk fysik, Kemisk fysik
Kompetenscentrum katalys (KCK)
Henrik Grönbeck
Chalmers, Teknisk fysik, Kemisk fysik
Kompetenscentrum katalys (KCK)
C. Hakanoglu
University of Florida
J. Gustafson
Lunds Universitet
S. Blomberg
Lunds Universitet
N. Johansson
Lunds Universitet
Z. Liu
Lawrence Berkeley National Laboratory
S. Axnanda
Lawrence Berkeley National Laboratory
Jason F. Weaver
University of Florida
E. Lundgren
Lunds Universitet
ACS Catalysis
2155-5435 (eISSN)
Vol. 4 10 3330-3334Drivkrafter
Hållbar utveckling
Styrkeområden
Nanovetenskap och nanoteknik
Transport
Energi
Materialvetenskap
Ämneskategorier (SSIF 2011)
Fysikalisk kemi
Kemiska processer
Fundament
Grundläggande vetenskaper
Infrastruktur
C3SE (Chalmers Centre for Computational Science and Engineering)
DOI
10.1021/cs5010163