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Structure Sensitivity of Methanol Electrooxidation on Transition Metals.

We have investigated the structure sensitivity of methanol electrooxidation on eight transition metals (Au, Ag, Cu, Pt, Pd, Ir, Rh, and Ni) using periodic, self-consistent density functional theory (DFT- GGA). Using the adsorption energies of 16 intermediates on two different facets of these eight f...

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Publicado en:Journal of the American Chemical Society Vol. 131; no. 40; pp. 14381 - 14390
Autores principales: Ferrin, Peter, Mavrikakis, Manos
Formato: Artículo
Publicado: American Chemical Society 10/14/2009
Materias:
Transition metals
Methanol
Electrolytic oxidation
Density functionals
Metallurgy
Electrochemical analysis
Acceso en línea:Ver este registro en EBSCOhost