CO Adsorption on Clean and Oxidized Pd(111)
Artikel i vetenskaplig tidskrift, 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

Författare

N. M. Martin

Lunds universitet

Maxime van den Bossche

Chalmers, Teknisk fysik, Kemisk fysik

Kompetenscentrum katalys (KCK)

Henrik Grönbeck

Kompetenscentrum katalys (KCK)

Chalmers, Teknisk fysik, Kemisk fysik

C. Hakanoglu

University of Florida

Fengling Zhang

University of Florida

T. Li

University of Florida

J. Gustafson

Lunds universitet

Jason F. Weaver

University of Florida

E. Lundgren

Lunds universitet

Journal of Physical Chemistry C

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

Vol. 118 1118-1128

Drivkrafter

Hållbar utveckling

Styrkeområden

Nanovetenskap och nanoteknik

Transport

Energi

Materialvetenskap

Ämneskategorier

Fysikalisk kemi

Kemi

Fundament

Grundläggande vetenskaper

Infrastruktur

C3SE (Chalmers Centre for Computational Science and Engineering)

DOI

10.1021/jp410895c