A combined MD simulation and experimental investigation of the O2 formation on beta-quartz at high temperature (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• A combined MD simulation and experimental investigation of the O2 formation on beta-quartz at high temperature (Articolo in rivista) (literal)

Anno

• 2005-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1063/1.1941671 (literal)

Alternative label

• L. Bedra; M.J.H. Balat-Pichelin; M. Rutigliano; and M.Cacciatore; (2005)
  A combined MD simulation and experimental investigation of the O2 formation on beta-quartz at high temperature
  in AIP conference proceedings
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• L. Bedra; M.J.H. Balat-Pichelin; M. Rutigliano; and M.Cacciatore; (literal)

Pagina inizio

• 1037 (literal)

Pagina fine

• 1042 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 762 (literal)

Rivista

• AIP conference proceedings (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali

• 6 (literal)

Note

• Scopu (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• Laboratoire Procédés, Matériaux et Energie Solaire, PROMES-CNRS Istituto Metodologie Inorganiche e Plasmi, IMIP-CNR (literal)

Titolo

• A combined MD simulation and experimental investigation of the O2 formation on beta-quartz at high temperature (literal)

Abstract

• Using two different silica polymorphs, we have experimentaly demonstrated the impact of the surface structure in the heterogeneous recombination of atomic oxygen. Thus, the measured recombination coefficient ? of quartz is approximately three times smaller than the ? value found for ?-cristobalite at 1000 K. However, the complexity of the heterogeneous processes remains such, that Molecular Dynamics (MD) simulation became necessary to get details at the atomic level on the molecular processes underlying the experimental observations. Semi-classical MD simulations of the heterogeneous oxygen molecule formation over ?-quartz are performed according to the E-R mechanism at a surface temperature of 1000 K. The interaction dynamics takes into account the energy exchange processes between the surface atoms and the O and O2 particles in the gas phase. The O2 formation probability is calculated at different collisional energies of the incoming gas oxygen atoms, together with the probabilities of the others possible reaction channels taking place at the surface. (literal)

Prodotto di

• Dinamica dei processi atomici e molecolari (MD.P03.026.001) (Modulo)
• Istituto di Nanotecnologia (NANOTEC) (Istituto)

Autore CNR

• MARIA RUTIGLIANO (Unità di personale interno)
• MARIO ANTONIO CACCIATORE (Unità di personale interno)

Incoming links:

Prodotto

• Istituto di Nanotecnologia (NANOTEC) (Istituto)
• Dinamica dei processi atomici e molecolari (MD.P03.026.001) (Modulo)

Autore CNR di

• MARIA RUTIGLIANO (Unità di personale interno)
• MARIO ANTONIO CACCIATORE (Unità di personale interno)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• AIP conference proceedings (Rivista)