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CO Oxidation mechanism on CeO2-supported Au nanoclusters
To reveal the richer chemistry of CO oxidation by CeO2 supported Au Nanoclusters(NCs)/Nanoparticles, we design Au13 and Au12 supported on a flat and a stepped-CeO2 model (Au/CeO2) and study various kinds of CO oxidation mechanisms at the Au-CeO2 interface and the Au NC as well.
Date:
September 8, 2013
Creator:
Y., Kim H. & Henkelman, G.
System:
The UNT Digital Library
Understanding of catalytic behaviors of TiO2/CuOx catalysts
Aiming to reveal the catalysis at the metal-oxide and oxide-oxide interfaces,1,2 the water-gas shift reaction (WGS, CO + H2O and #61664; CO2 + H2) and CO oxidation (2CO + O2 and #61664; 2CO2) at the interface of the Cu(111) and Cu2O(111) supported TiO2 clusters were studied based on DFT calculations
Date:
September 8, 2013
Creator:
Y., Kim H. & Liu, P.
System:
The UNT Digital Library