SO2 adsorption on Pt(111) and oxygen precovered Pt(111): A combined infrared reflection absorption spectroscopy and density functional study

Journal article
(Original article)


Publication Details

Author(s): Happel M, Luckas N, Vines Solana F, Sobota M, Laurin M, Görling A, Libuda J
Journal: Journal of Physical Chemistry C
Publisher: American Chemical Society
Publication year: 2011
Volume: 115
Journal issue: 2
Pages range: 479-491
ISSN: 1932-7447
eISSN: 1932-7455


Abstract


We have performed a combined molecular beam (MB)/infrared reflection absorption spectroscopy (IRAS) and density functional (DF) study on the adsorption of sulfur dioxide (SO) on clean and oxygen precovered Pt(111). The adsorbate species formed as a function of coverage and their structural and chemical transformations upon subsequent annealing were followed systematically by IRAS. It is shown that, upon adsorption on clean Pt(111) at 100 K, SO adsorbs molecularly in two geometries. Calculations reveal that these geometries correspond to molecules oriented parallel or perpendicular to the surface. Upon heating up to 250 K, conversion between the two species occurs with the fraction of upright standing SO increasing with increasing temperature. Between 300 and 350 K, all surface species desorb without decomposition. This is in sharp contrast to oxygen precovered Pt(111), on which, in addition to the formation of molecular SO in flat and perpendicular geometry, partial formation of SO is observed even at low temperature. Upon annealing, part of the surface SO species are converted to SO and, subsequently, to SO, which remains stable up to 450 K. DF calculations on the stable adsorption structures of SO species provide characteristic IR frequencies, which can be correlated with the present IRAS data and photoelectron spectroscopy (PES) data previously published. © 2010 American Chemical Society.



FAU Authors / FAU Editors

Görling, Andreas Prof. Dr.
Lehrstuhl für Theoretische Chemie
Graduiertenzentrum der FAU
Happel, Markus
Lehrstuhl für Physikalische Chemie II
Laurin, Mathias Dr.
Lehrstuhl für Physikalische Chemie II
Libuda, Jörg Prof. Dr.
Professur für Physikalische Chemie
Luckas, Nicola
Lehrstuhl für Theoretische Chemie
Sobota, Marek


Additional Organisation
Exzellenz-Cluster Engineering of Advanced Materials


Research Fields

D Catalytic Materials
Exzellenz-Cluster Engineering of Advanced Materials
A3 Multiscale Modeling and Simulation
Exzellenz-Cluster Engineering of Advanced Materials


How to cite

APA:
Happel, M., Luckas, N., Vines Solana, F., Sobota, M., Laurin, M., Görling, A., & Libuda, J. (2011). SO2 adsorption on Pt(111) and oxygen precovered Pt(111): A combined infrared reflection absorption spectroscopy and density functional study. Journal of Physical Chemistry C, 115(2), 479-491. https://dx.doi.org/10.1021/jp107171t

MLA:
Happel, Markus, et al. "SO2 adsorption on Pt(111) and oxygen precovered Pt(111): A combined infrared reflection absorption spectroscopy and density functional study." Journal of Physical Chemistry C 115.2 (2011): 479-491.

BibTeX: 

Last updated on 2019-06-08 at 09:04