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.

Comments

Reprinted (adapted) with permission from Journal of the American Chemical Society 135 (2013): 9592, doi: 10.1021/ja403175c. Copyright 2013 American Chemical Society.

Copyright Owner

American Chemical society

Language

en

File Format

application/pdf

Share

COinS