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Your search keyword '"Fajín, José L.C."' showing total 3 results
Start Over Author "Fajín, José L.C." Journal applied catalysis a: general
3 results on '"Fajín, José L.C."'

3. DFT study on the reaction of O2 dissociation catalyzed by gold surfaces doped with transition metal atoms.

Author

Fajín, José L.C., Cordeiro, M. Natália D.S., and Gomes, José R.B.

Subjects
*GOLD oxide, *DENSITY functional theory, *CHEMICAL reactions, *METALLIC surfaces, *ATOMS, *CHEMICAL models, *DOPING agents (Chemistry)
Abstract

Highlights: [•] DFT calculations suggest that O2 dissociation is feasible on gold surfaces doped with transition metals. [•] Nickel is the most interesting transition metal for doping purposes. [•] BEP relationships relate the activation energy for O2 dissociation with different descriptors. [•] CO dissociation is less favorable than CO oxidation on Ni@Au model catalysts. [•] CO methanation is unlikely on Ni@Au model catalysts. [ABSTRACT FROM AUTHOR]

Published
2013
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