Adsorbate Reorganization at Steps: NO on Pd(211)

Bjørk Hammer; Jens Kehlet Nørskov

doi:10.1103/PhysRevLett.79.4441

Adsorbate Reorganization at Steps: NO on Pd(211)

Bjørk Hammer, Jens Kehlet Nørskov

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Abstract

The interaction of nitric oxide, NO, with the stepped Pd(211) surface is studied using density functional theory slab calculations. Calculated chemisorption energies and geometries reveal that surface sites are not populated in a sequential manner as the NO coverage is increased. This comes about through mutual NO interactions that reorganize the adsorbates during the adsorption. The finding of nonsequential site population allows a reinterpretation of existing experimental data.

Original language	English
Journal	Physical Review Letters
Volume	79
Issue number	22
Pages (from-to)	4441-4444
ISSN	0031-9007
DOIs	https://doi.org/10.1103/PhysRevLett.79.4441
Publication status	Published - 1997

Bibliographical note

Copyright (1997) by the American Physical Society.

Keywords

ADSORPTION
SURFACES
SITES

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10.1103/PhysRevLett.79.4441

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http://link.aps.org/doi/10.1103/PhysRevLett.79.4441

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abstract = "The interaction of nitric oxide, NO, with the stepped Pd(211) surface is studied using density functional theory slab calculations. Calculated chemisorption energies and geometries reveal that surface sites are not populated in a sequential manner as the NO coverage is increased. This comes about through mutual NO interactions that reorganize the adsorbates during the adsorption. The finding of nonsequential site population allows a reinterpretation of existing experimental data.",

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AU - Nørskov, Jens Kehlet

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AB - The interaction of nitric oxide, NO, with the stepped Pd(211) surface is studied using density functional theory slab calculations. Calculated chemisorption energies and geometries reveal that surface sites are not populated in a sequential manner as the NO coverage is increased. This comes about through mutual NO interactions that reorganize the adsorbates during the adsorption. The finding of nonsequential site population allows a reinterpretation of existing experimental data.

KW - ADSORPTION

KW - SURFACES

KW - SITES

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Adsorbate Reorganization at Steps: NO on Pd(211)

Abstract

Bibliographical note

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