Document Type
Article
Publication Version
Published Version
Publication Date
2013
Journal or Book Title
Journal of the American Chemical Society
Volume
135
Issue
26
First Page
9592
Last Page
9595
DOI
10.1021/ja403175c
Abstract
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 O2 to form an OOCO* intermediate. The presence of surface Na increases the binding energy of O2 and decreases the energy barrier of the transition states.
Copyright Owner
American Chemical society
Copyright Date
2013
Language
en
File Format
application/pdf
Recommended Citation
Xiao, Chaoxian; Wang, Linlin; Maligal-Ganesh, Raghu V.; Smetana, Volodymyr; Walen, Holly L.; Thiel, Patricia A.; Miller, Gordon J.; Johnson, Duane D.; and Huang, Wenyu, "Intermetallic NaAu2 as a Heterogeneous Catalyst for Low- Temperature CO Oxidation" (2013). Chemistry Publications. 90.
https://lib.dr.iastate.edu/chem_pubs/90
Comments
Reprinted (adapted) with permission from Journal of the American Chemical Society 135 (2013): 9592, doi: 10.1021/ja403175c. Copyright 2013 American Chemical Society.