Reactivity of a stepped surface NO dissociation on Pd(211)
- 1 January 1998
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Faraday Discussions
- Vol. 110, 323-333
- https://doi.org/10.1039/a801126e
Abstract
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, because this surface binds the molecular NO and the atomic N and O, more strongly than does the flat surface.Keywords
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