Surface Reaction of CO on Carbide-Modified Mo(110)

Journal article


Publication Details

Author(s): Gleichweit C, Neiß C, Maisel S, Bauer U, Späth F, Höfert O, Görling A, Steinrück HP, Papp C
Journal: Journal of Physical Chemistry C
Publisher: AMER CHEMICAL SOC
Publication year: 2017
Volume: 121
Journal issue: 5
Pages range: 3133-3142
ISSN: 1932-7447


Abstract


The adsorption and reaction of CO on a monolayer carbide and a bulk carbide, prepared on Mo(110), was studied with synchrotron-based XPS, TPD, and density-functional calculations using slab models. In the experiments on the monolayer carbide, we find two CO species at 140 K, with a saturation coverage of similar to 0.7 ML, while on the bulk carbide, Mo2C, three molecular adsorption states are found, showing a similar total coverage of similar to 0.7 ML at saturation. In addition, CO partly dissociates on both surfaces (monolayer carbide: 7%, bulk carbide: 15%). The calculations on the monolayer carbide show that the adsorption of CO on Mo sites is most stable. At increased coverages, several different adsorption sites on the monolayer carbide become possible. From the core level shifts, an assignment to the experimentally found species becomes available. Upon heating, we find on both carbides the competing processes of desorption, interconversion of different CO species, and dissociation of CO. The detailed quantitative analysis of these processes shows that desorption and dissociation to atomic oxygen and carbon is completed at similar to 400 K on the monolayer carbide and similar to 450 K on the bulk carbide; in both cases, about 35% (0.25 ML) of the initially adsorbed CO decomposes upon heating. Above 800 K, atomic carbon and oxygen desorb associatively, and at 1200 K the carbide surfaces are restored.



FAU Authors / FAU Editors

Bauer, Udo Dr.
Lehrstuhl für Physikalische Chemie II
Gleichweit, Christoph
Lehrstuhl für Physikalische Chemie II
Görling, Andreas Prof. Dr.
Lehrstuhl für Theoretische Chemie
Höfert, Oliver
Lehrstuhl für Physikalische Chemie II
Maisel, Sven
Lehrstuhl für Theoretische Chemie
Neiß, Christian Dr.
Lehrstuhl für Theoretische Chemie
Papp, Christian PD Dr.
Lehrstuhl für Physikalische Chemie II
Späth, Florian
Lehrstuhl für Physikalische Chemie II
Steinrück, Hans-Peter Prof. Dr.
Lehrstuhl für Physikalische Chemie II


Additional Organisation
Exzellenz-Cluster Engineering of Advanced Materials


How to cite

APA:
Gleichweit, C., Neiß, C., Maisel, S., Bauer, U., Späth, F., Höfert, O.,... Papp, C. (2017). Surface Reaction of CO on Carbide-Modified Mo(110). Journal of Physical Chemistry C, 121(5), 3133-3142. https://dx.doi.org/10.1021/acs.jpcc.6b11950

MLA:
Gleichweit, Christoph, et al. "Surface Reaction of CO on Carbide-Modified Mo(110)." Journal of Physical Chemistry C 121.5 (2017): 3133-3142.

BibTeX: 

Last updated on 2018-10-08 at 19:54