Isotope and surface temperature effects for hydrogen recombination on a graphite surface (Articolo in rivista)

Type
Label
  • Isotope and surface temperature effects for hydrogen recombination on a graphite surface (Articolo in rivista) (literal)
Anno
  • 2008-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1002/cphc.200700394 (literal)
Alternative label
  • M. Rutigliano and M. Cacciatore (2008)
    Isotope and surface temperature effects for hydrogen recombination on a graphite surface
    in ChemPhysChem (Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • M. Rutigliano and M. Cacciatore (literal)
Pagina inizio
  • 171 (literal)
Pagina fine
  • 181 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#altreInformazioni
  • lavoro inserito nel volume CNR-Highlights 2008-2009 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 9 (literal)
Rivista
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
  • 11 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 1-2 (literal)
Note
  • Scopu (literal)
  • PubMe (literal)
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • CNR-IMIP (Institute for Inorganic Methodologies and Plasmas) (literal)
Titolo
  • Isotope and surface temperature effects for hydrogen recombination on a graphite surface (literal)
Abstract
  • We highlight the isotope and surface temperature effects for hydrogen atom recombination on a graphite surface. The reaction dynamics is studied using the semiclassical collisional method, according to which the mass and temperature effects are due to the coupling between the H/D dynamics and the dynamics of the phonon excitation/de-excitation mechanism of the substrate. All possible collisional schemes with H/D adsorbed on the surface and H/D impinging from the gas phase are considered. In particular, we focus on the recombination reaction between an H atom colliding with a D atom adsorbed on the surface and a D atom incident on an H adatom. For H2 and D2 formation, the surface temperature effect is investigated by comparing the results obtained for TS=800 K with those obtained at TS=500 K and TS=100 K. Despite the low masses involved in the dynamics, effective isotope and temperature effects were observed on the recombination probabilities, reaction energetics, and roto-vibrational states of formed molecules. The results show the need for correct treatment of the multiphonon excitation mechanism in molecule-surface interactions. (literal)
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