Journal
CHEMICAL PHYSICS LETTERS
Volume 534, Issue -, Pages 54-57Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2012.03.031
Keywords
-
Funding
- National Computing Facilities Foundation NCF [SH-034-11]
- Netherlands Organisation for Scientific Research [ECHO 700.59.041]
Ask authors/readers for more resources
Via the formation process of the adsorbed intermediates formyl (HCO) and hydroxy-carbene (COH), the thermodynamics of the hydrogen-assisted CO dissociation on Fe(310) is investigated by means of first-principles total-energy calculations. A comparison with direct CO dissociation in the presence of coadsorbed atomic hydrogen leads to the conclusion that the direct process is the only thermodynamically viable route for CO dissociation on Fe(310), with strongly endothermic formation energies for both intermediates, HCO and COH. (C) 2012 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available