| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5423740 | Surface Science | 2009 | 7 Pages |
Abstract
In this research the effect of steps (lower coordinated surface atoms) and the presence of pre-adsorbed oxygen on the activation energy of water are studied with DFT. Without oxygen water activation is found to be structure insensitive. When oxygen is adsorbed on the surface and acts as the acceptor for the hydrogen at the step edge, the barrier will decrease significantly.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Pieter W. van Grootel, Emiel J.M. Hensen, Rutger A. van Santen,