Journal
MOLECULAR SIMULATION
Volume 35, Issue 10-11, Pages 928-935Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/08927020902912279
Keywords
density functional theory; catalysis; hydrogen dissociation; nickel cluster; dissociation barrier
Ask authors/readers for more resources
The relation between geometry and nickel reactivity was explored using density functional theory. The reactivity was gauged by hydrogen and methane dissociations on atomic nickel and the tetrahedral clusters where binding energies and dissociation barriers were calculated. The results were then compared to Ni(13) icosahedral clusters and (1 1 1) crystal surfaces.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available