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Intermetallic NaAu2 as a Heterogeneous Catalyst for Low-Temperature CO Oxidation

TitleIntermetallic NaAu2 as a Heterogeneous Catalyst for Low-Temperature CO Oxidation
Publication TypeJournal Article
Year of Publication2013
AuthorsXiao, CX, Wang, LL, Maligal-Ganesh, RV, Smetana, V, Walen, H, Thiel, PA, Miller, GJ, Johnson, DD, Huang, WK
JournalJournal of the American Chemical Society
Date Published07
Type of ArticleArticle
ISBN Number0002-7863
Accession NumberWOS:000321541800009
Keywordsacetylene, ga, gold clusters, palladium, Pd, selective hydrogenation

The enhanced stability and modified electronic structure of intermetallic compounds provide discovery of superior catalysts for chemical conversions with high activity, selectivity, and stability. We find that the intermetallic NaAu2 is an active catalyst for CO oxidation at low temperatures. From density functional theory calculations, a reaction mechanism is suggested to explain the observed low reaction barrier of CO oxidation by NaAu2, in which a CO molecule reacts directly with an adsorbed O-2 to form an OOCO* intermediate. The presence of surface Na increases the binding energy of O-2 and decreases the energy barrier of the transition states.

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