Issue 29, 2011

On the theoretical understanding of the unexpected O2activation by nanoporous gold

Abstract

Several pure and Ag-doped gold surfaces were used as models of nanoporous goldcatalysts where O2 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 O2 with high rate constants.

Graphical abstract: On the theoretical understanding of the unexpected O2activation by nanoporous gold

Supplementary files

Article information

Article type
Communication
Submitted
14 Apr 2011
Accepted
09 Jun 2011
First published
24 Jun 2011

Chem. Commun., 2011,47, 8403-8405

On the theoretical understanding of the unexpected O2activation by nanoporous gold

J. L. C. Fajín, M. N. D. S. Cordeiro and J. R. B. Gomes, Chem. Commun., 2011, 47, 8403 DOI: 10.1039/C1CC12166A

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