Low sticking probability in the nonactivated dissociation of N2 molecules on W(110).
The six-dimensional potential energy surface for the dissociation of N2 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.
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Donostia International Physics Center (DIPC), P. Manuel de Lardizabal 4, 20018 San Sebastián, Spain. wapalocm@sq.ehu.es
Díez Muiño
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Busnengo
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Salin
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