CO Adsorption on Clean and Oxidized Pd(111)
Journal article, 2014

The adsorption of CO on clean and oxidized Pd(111) surfaces has been investigated using a combination of high-resolution core level spectroscopy (HRCLS), reflection absorption infrared spectroscopy (RAIRS), and density functional theory (DFT) calculations. The HRCLS and RAIRS measurements reveal that CO adsorbs on Pd(111), Pd(5)O4 and PdO(101) at 100 +/- 10 K and that the CO coverage decreases with increasing oxidation state of Pd for the same CO exposures of 10 Langmuirs. Based on the DFT calculations, the CO layer on clean Pd(111) was found to include molecular adsorption in both hollow and bridge sites, whereas CO occupies a combination of bridge and atop sites on the Pd5O4 and PdO(101) surfaces.

AUGMENTED-WAVE METHOD

REFLECTION-ABSORPTION SPECTROSCOPY

CARBON-MONOXIDE

PDO(101) THIN-FILM

PHOTOEMISSION

LEVEL

TOTAL-ENERGY CALCULATIONS

ULTRAHIGH-VACUUM

ORDERED STRUCTURES

CATALYTIC REACTIVITY

VIBRATIONAL SPECTROSCOPY

Author

N. M. Martin

Lund University

Maxime van den Bossche

Chalmers, Applied Physics, Chemical Physics

Competence Centre for Catalysis (KCK)

Henrik Grönbeck

Competence Centre for Catalysis (KCK)

Chalmers, Applied Physics, Chemical Physics

C. Hakanoglu

University of Florida

Fengling Zhang

University of Florida

T. Li

University of Florida

J. Gustafson

Lund University

Jason F. Weaver

University of Florida

E. Lundgren

Lund University

Journal of Physical Chemistry C

1932-7447 (ISSN) 1932-7455 (eISSN)

Vol. 118 2 1118-1128

Driving Forces

Sustainable development

Areas of Advance

Nanoscience and Nanotechnology (2010-2017)

Transport

Energy

Materials Science

Subject Categories

Physical Chemistry

Chemical Sciences

Roots

Basic sciences

Infrastructure

C3SE (Chalmers Centre for Computational Science and Engineering)

DOI

10.1021/jp410895c

More information

Latest update

3/2/2018 9