Reactivity of a stepped surface: NO dissociation on Pd(211).

Reactivity of a stepped surface: NO dissociation on Pd(211).
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by B. Hammer.

Faraday Discussion Chemical Society **110**, 323 (1998).

Abstract
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Pathways for the dissociative adsorption of NO on the planar Pd(111) and
the stepped Pd(211) surfaces are calculated using density functional
theory. The pathways with the smallest energy barriers for the
dissociation are found to be very similar on the two types of Pd
surfaces. The stepped surface exhibits the smallest energy barrier,
which is because this surface binds the molecular NO and the atomic N
and O, more strongly than the flat surface does.