Hydrogenation Reactions on Au/TiC(001): Effects of Au-C Interactions on the Dissociation of H-2
Journal Article
·
· Chemcatchem
OSTI ID:1001749
Density functional calculations carried out for realistic models evidence that Au particles supported on TiC(001) are very active towards H2 dissociation. The molecular mechanisms show that the support is not a mere spectator but plays a major role in the catalyzed reaction and acts as a reservoir of atomic H, making this system an excellent candidate as a catalyst for the hydrogenation of olefins and hydrodesulfurization reactions.
- Research Organization:
- Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source
- Sponsoring Organization:
- DOE - Office Of Science
- DOE Contract Number:
- DE-AC02-98CH10886
- OSTI ID:
- 1001749
- Report Number(s):
- BNL-91324-2010-JA; ISSN 1867-3899; R&D Project: CO-009; KC0302010; TRN: US201102%%479
- Journal Information:
- Chemcatchem, Vol. 2, Issue 10; ISSN 1867-3880
- Country of Publication:
- United States
- Language:
- English
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