Eley-Rideal recombination of hydrogen atoms on a tungsten surface

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Abstract

The Eley-Rideal recombination reaction of H chemisorbed on the four-fold site of W(001) at asurface temperature TS = 500 K is studied using the fully three-dimensional semiclassicalcollisional model and an accurate potential energy surface for the H-W(001) system. Therecombination probability, calculated at different collisional energies in the range (0.05-5) eV,shows a broad maximum around 0.4 for energies between 0.1 eV and 2.5 eV. The exothermicenergy partitioning in the final states of the desorbing H2 molecules shows that, at low impactenergies, only the first three vibrational levels of the hydrogen molecule are energeticallyaccessible, while at the higher impact energies vibrational levels up to v = 7 can be populated.The energy exchanged with the phonons surface is small but not negligible.

Autore Pugliese

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  • M. Rutigliano ; M. Cacciatore

Titolo volume/Rivista

PCCP. Physical chemistry chemical physics

Anno di pubblicazione

2011

ISSN

1463-9076

ISBN

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Numero di citazioni Wos

Nessuna citazione

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Codici ASJC

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