학술논문
V at the rate of [Au12.sup.-]: An improved novel catalyst for CO oxidation?
Document Type
Academic Journal
Author
Source
Journal of Physical Chemistry B. June 15, 2006, Vol. 110 Issue 23, p11600
Subject
Language
English
ISSN
1520-6106
Abstract
The catalytic properties toward CO combustion of an encapsulated cluster V at the rate of [Au12.sup.-] were explored by means of plane-wave pseudopotential density-functional theory calculations. The cluster binds 12 CO molecules and cluster acts as catalyst since it enhances CO combustion under favorable conditions.