Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 125, Issue 14, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.2355672
Keywords
-
Ask authors/readers for more resources
The six-dimensional potential energy surface for the dissociation of N-2 molecules on the W(110) surface has been determined by density functional calculations and interpolated using the corrugation reducing procedure. Examination of the resulting six-dimensional potential energy surface shows that nonactivated paths are available for dissociation. In spite of this, the dissociation probability goes to a very small value when the impact energy goes to zero and increases with increasing energy, a behavior usually associated with activated systems. Statistics on the dynamics indicate that this unconventional result is a consequence of the characteristics of the potential energy surface at long distances. Furthermore, two distinct channels are identified in the dissociation process, namely, a direct one and an indirect one. The former is responsible for dissociation at high energies. The latter, which includes long-lasting dynamic trapping in the vicinity of a potential well above the W top position, is the leading mechanism at low and intermediate energies. (c) 2006 American Institute of Physics.
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