skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Novel Au-TiC Catalysts for CO Oxidation and Desulfurization Processes

Abstract

Recent articles dealing with the physical and chemical properties of novel Au-TiC catalysts are reviewed. High-resolution photoemission, scanning tunneling microscopy and first-principles periodic density-functional calculations were used to study the deposition of gold on a TiC(0 0 1) surface. Gold grows forming two-dimensional (very low coverage) and three-dimensional (medium and large coverage) islands on the carbide substrate. A positive shift in the binding energy of the C 1s core level is observed after the deposition of Au on TiC(0 0 1). The results of the density-functional calculations corroborate the formation of Au-C bonds. In general, the bond between Au and the TiC(0 0 1) surface exhibits very little ionic character, but there is a substantial polarization of electrons around Au that facilitates bonding of the adatoms with electron-acceptor molecules (CO, O{sub 2}, C{sub 2}H{sub 4}, SO{sub 2}, thiophene, etc.). Experimental measurements indicate that Au/TiC(0 0 1) is a very good catalysts for the oxidation of CO, the destruction of SO{sub 2} and the hydrodesulfurization of thiophene. At temperatures below 200 K, Au/TiC(0 0 1) is able to perform the 2CO + O{sub 2} {yields} 2CO{sub 2} reaction and the full decomposition of SO{sub 2}. Furthermore, in spite of the verymore » poor hydrodesulfurization performance of TiC(0 0 1) or Au(1 1 1), a Au/TiC(0 0 1) surface displays a hydrodesulfurization activity higher than that of conventional Ni/MoS{sub x} catalysts. Metal carbides are excellent supports for enhancing the chemical reactivity of gold. The Au/TiC system is more chemically active than systems generated by depositing Au nanoparticles on oxide surfaces.« less

Authors:
; ; ; ; ; ; ;
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL) National Synchrotron Light Source
Sponsoring Org.:
DOE - OFFICE OF SCIENCE
OSTI Identifier:
1019577
Report Number(s):
BNL-90970-2011-JA
Journal ID: ISSN 0920-5861; CATTEA; R&D Project: CO-009; KC0302010; TRN: US201116%%535
DOE Contract Number:  
DE-AC02-98CH10886
Resource Type:
Journal Article
Journal Name:
Catalysis Today
Additional Journal Information:
Journal Volume: 166; Journal Issue: 1; Journal ID: ISSN 0920-5861
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BINDING ENERGY; BONDING; CARBIDES; CATALYSTS; CHEMICAL PROPERTIES; DEPOSITION; DESULFURIZATION; ELECTRONS; GOLD; ISLANDS; OXIDATION; OXIDES; PERFORMANCE; PHOTOEMISSION; POLARIZATION; SCANNING TUNNELING MICROSCOPY; THIOPHENE; TITANIUM CARBIDES; VALENCE; national synchrotron light source

Citation Formats

Rodriguez, J A, Liu, P, Takahashi, Y, Viñes, F, Feria, L, Florez, E, Nakamura, K, and Illas, F. Novel Au-TiC Catalysts for CO Oxidation and Desulfurization Processes. United States: N. p., 2011. Web. doi:10.1016/j.cattod.2010.04.051.
Rodriguez, J A, Liu, P, Takahashi, Y, Viñes, F, Feria, L, Florez, E, Nakamura, K, & Illas, F. Novel Au-TiC Catalysts for CO Oxidation and Desulfurization Processes. United States. doi:10.1016/j.cattod.2010.04.051.
Rodriguez, J A, Liu, P, Takahashi, Y, Viñes, F, Feria, L, Florez, E, Nakamura, K, and Illas, F. Mon . "Novel Au-TiC Catalysts for CO Oxidation and Desulfurization Processes". United States. doi:10.1016/j.cattod.2010.04.051.
@article{osti_1019577,
title = {Novel Au-TiC Catalysts for CO Oxidation and Desulfurization Processes},
author = {Rodriguez, J A and Liu, P and Takahashi, Y and Viñes, F and Feria, L and Florez, E and Nakamura, K and Illas, F},
abstractNote = {Recent articles dealing with the physical and chemical properties of novel Au-TiC catalysts are reviewed. High-resolution photoemission, scanning tunneling microscopy and first-principles periodic density-functional calculations were used to study the deposition of gold on a TiC(0 0 1) surface. Gold grows forming two-dimensional (very low coverage) and three-dimensional (medium and large coverage) islands on the carbide substrate. A positive shift in the binding energy of the C 1s core level is observed after the deposition of Au on TiC(0 0 1). The results of the density-functional calculations corroborate the formation of Au-C bonds. In general, the bond between Au and the TiC(0 0 1) surface exhibits very little ionic character, but there is a substantial polarization of electrons around Au that facilitates bonding of the adatoms with electron-acceptor molecules (CO, O{sub 2}, C{sub 2}H{sub 4}, SO{sub 2}, thiophene, etc.). Experimental measurements indicate that Au/TiC(0 0 1) is a very good catalysts for the oxidation of CO, the destruction of SO{sub 2} and the hydrodesulfurization of thiophene. At temperatures below 200 K, Au/TiC(0 0 1) is able to perform the 2CO + O{sub 2} {yields} 2CO{sub 2} reaction and the full decomposition of SO{sub 2}. Furthermore, in spite of the very poor hydrodesulfurization performance of TiC(0 0 1) or Au(1 1 1), a Au/TiC(0 0 1) surface displays a hydrodesulfurization activity higher than that of conventional Ni/MoS{sub x} catalysts. Metal carbides are excellent supports for enhancing the chemical reactivity of gold. The Au/TiC system is more chemically active than systems generated by depositing Au nanoparticles on oxide surfaces.},
doi = {10.1016/j.cattod.2010.04.051},
journal = {Catalysis Today},
issn = {0920-5861},
number = 1,
volume = 166,
place = {United States},
year = {2011},
month = {5}
}