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On the theoretical understanding of the unexpected O-2 activation by nanoporous gold

Title
On the theoretical understanding of the unexpected O-2 activation by nanoporous gold
Type
Article in International Scientific Journal
Year
2011
Authors
Jose L C Fajin
(Author)
FCUP
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Natalia N D S Cordeiro
(Author)
FCUP
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Jose R B Gomes
(Author)
Other
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Journal
Vol. 47 No. 18
Pages: 8403-8405
ISSN: 1359-7345
Scientific classification
FOS: Natural sciences > Chemical sciences
Other information
Authenticus ID: P-002-Y5Y
Abstract (EN): Several pure and Ag-doped gold surfaces were used as models of nanoporous gold catalysts where O-2 was suggested to be activated. Density functional theory (DFT) calculations show that residual Ag on Au is able to promote adsorption and to dissociate thermodynamically favorable O-2 with high rate constants.
Language: English
Type (Professor's evaluation): Scientific
No. of pages: 3
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