Dissociative Adsorption of Hydrogen on PdO(101) Studied by HRCLS and DFT
Journal article, 2013
High-resolution core-level spectroscopy (HRCLS) and density functional theory (DFT) calculations have been used to investigate the adsorption and dissociation of hydrogen on a PdO(101) film grown on Pd(111). Energy-dependent measurements of the O 1s and Pd 3d(5/2) binding energies enable identification of surface components that correspond to undercoordinated Pd and O atoms. HRCLS data obtained at 110 K, after hydrogen exposure at the same temperature, reveal hydrogen adsorption and formation of Pd-H and O-H groups. Adsorption at room temperature results instead in complete reduction of the oxide. The experimental results are supported by the DFT calculations of core-level shifts and barriers for water formation.
Author
N. M. Martin
Lund University
Maxime van den Bossche
Chalmers, Applied Physics, Chemical Physics
Competence Centre for Catalysis (KCK)
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
M. A. Arman
Lund University
A. Antony
University of Florida
R. Rai
University of Florida
A. Asthagiri
Ohio State University
Jason F. Weaver
University of Florida
E. Lundgren
Lund University
Journal of Physical Chemistry C
1932-7447 (ISSN) 1932-7455 (eISSN)
Vol. 117 26 13510-13519Subject Categories
Physical Chemistry
DOI
10.1021/jp4036698