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

2155-5435 (eISSN)

Vol. 4 10 3330-3334

Driving Forces

Sustainable development

Areas of Advance

Nanoscience and Nanotechnology (2010-2017)

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

More information

Latest update

3/2/2018 9