Water-gas-shift reaction on molybdenum carbide surfaces: Essential role of the oxycarbide
Article Abstract:
The behavior of Mo carbides in the water-gas-shift reaction (WGS, CO + [H.sub.2]O --> [H.sub.2] + C[O.sub.2]) was investigated by employing density functional theory (DFT). The results show that the WGS activity of the carbides decreases in a sequence, Cu > C-[Mo.sub.2]C > Mo-[Mo.sub.2]C and both [Mo.sub.2]C and C-[Mo.sub.2]C are less reactive than the conventional WGS catalyst, Cu, due to the fact that either the Mo sites or the C sites bond oxygen too strongly to allow the facile removal of oxygen in the form of C[O.sub.2].
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Adsorption and reaction of SO2 on model Ce1-(sub x)Zr(sub x)O2(111) catalysts
Article Abstract:
The interaction of SO2 with ceria-zirconia model catalysts is analyzed using high-resolution synchrotron-based X-ray photoelectron spectroscopy (XPS). The study revealed that epitaxial Ce1-(sub x)Zr(subx)O2(111) (x=0.1 and 0.3) thin films (500-700 A Armstrong in thickness) are grown by oxygen-plasma-assisted molecular beam epitaxy on single-crystal Y-stabilized ZrO2(111).
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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A novel growth mode of Mo on Au (111) from a Mo(CO)(sub 6) precursor: an STM study
Article Abstract:
The growth of a submonolayer of metallic Mo on Au (11) by using scanning tunnel microscopy (STM) is studied. The results show the oxidation of Mo islands leading to their spreading proving that Mo clusters are either three-dimensional above or embedded in the surface of the gold substrate.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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