Efficient N2 Formation on Ag(111) by Eley–Rideal Recombination of Hyperthermal Atoms

Using molecular dynamics simulations and potential energy surfaces of ab initio quality, we show that direct pickup of N adsorbates by gas-phase N is a highly efficient channel for N2 formation on Ag(111). This recombination process, called Eley–Rideal, was traditionally associated with lighter proj...

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Bibliographic Details
Published in:The journal of physical chemistry letters 2013-11, Vol.4 (21), p.3704-3709
Main Authors: Blanco-Rey, María, Díaz, Estibaliz, Bocan, Gisela A, Díez Muiño, Ricardo, Alducin, Maite, Juaristi, J. Iñaki
Format: Article
Language:English
Subjects:
Surfaces, Interfaces, Porous Materials, and Catalysis
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Summary:Using molecular dynamics simulations and potential energy surfaces of ab initio quality, we show that direct pickup of N adsorbates by gas-phase N is a highly efficient channel for N2 formation on Ag(111). This recombination process, called Eley–Rideal, was traditionally associated with lighter projectiles and regarded as marginal, but here, we obtain reactivities for N of ≳35% even at incident energies of a few eV. The good agreement found between simulated and published experimental energies of the desorbed N2 is a fingerprint of this otherwise elusive recombination.
ISSN:1948-7185
1948-7185
DOI:10.1021/jz401850h