72 research outputs found
Anomalous Behavior of Ru for Catalytic Oxidation: A Theoretical Study of the Catalytic Reaction CO + 1/2 O_2 --> CO_2
Recent experiments revealed an anomalous dependence of carbon monoxide
oxidation at Ru(0001) on oxygen pressure and a particularly high reaction rate.
Below we report density functional theory calculations of the energetics and
reaction pathways of the speculated mechanism. We will show that the
exceptionally high rate is actuated by a weakly but nevertheless well bound
(1x1) oxygen adsorbate layer. Furthermore it is found that reactions via
scattering of gas-phase CO at the oxygen covered surface may play an important
role. Our analysis reveals, however, that reactions via adsorbed CO molecules
(the so-called Langmuir-Hinshelwood mechanism) dominate.Comment: 5 pages, 4 figures, Phys. Rev. Letters, Feb. 1997, in prin
Decomposition of Poly(perfluorinated ethers): Effect of End Groups on Main-Chain Degradation and Product Formation
Direct Observation of a Photoinduced Wolff Rearrangement in PMMA Using Ultrafast Infrared Spectroscopy
Xerographic properties of metal/metal-free phthalocyanine composites in a double-layered photoconductor
Molecular Surface Structure of 4,4‘,7,7‘-Tetrachlorothioindigo Crystal Observed by Atomic Force Microscopy
A Reactive Molecular Dynamics Study of the Thermal Decomposition of Perfluorodimethyl Ether
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