Interaction of SO2 with Cu/TiC(0 0 1) and Au/TiC(0 0 1): Toward a New Family of DeSOx Catalysts
Experiments carried out under well-controlled conditions and density functional theory (DFT)-based calculations evidence that Cu and Au nanoparticles supported on a TiC(0 0 1) surface are quite active for the dissociation of the SO{sub 2} molecule. The Cu/TiC(0 0 1) and Au/TiC(0 0 1) systems cleave both S-O bonds of SO{sub 2} at a temperature of 150 K, displaying a reactivity much larger than that of TiC(0 0 1) or extended surfaces of bulk copper and gold. The origin of the high activity of the Cu/TiC(0 0 1) and Au/TiC(0 0 1) systems lies on the interaction between the C atoms of the substrate and the metal atoms of the supported particle, which results in a large polarization of its electron density. Experiments and theory consistently indicate that the Cu/TiC system is more active toward SO{sub 2} dissociation than the Au/TiC system. This type of systems may provide alternative and efficient DeSO{sub x} catalysts.
- Research Organization:
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Organization:
- USDOE SC OFFICE OF SCIENCE (SC)
- DOE Contract Number:
- DE-AC02-98CH10886
- OSTI ID:
- 1041863
- Report Number(s):
- BNL-97541-2012-JA; JCTLA5; TRN: US201212%%275
- Journal Information:
- Journal of Catalysis, Vol. 279, Issue 2; ISSN 0021-9517
- Country of Publication:
- United States
- Language:
- English
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