Dissociation path foron Al(110)
- 28 September 1992
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 69 (13), 1971-1974
- https://doi.org/10.1103/physrevlett.69.1971
Abstract
The minimum energy path is calculated for an molecule dissociating on an Al(110) surface within local density functional theory. The properties of the potential energy surface along the five ionic coordinates perpendicular to the reaction path are also determined and shown to be essential for an understanding of the dissociation dynamics.
Keywords
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