Skip to Main Content (Press Enter)

Logo CNR
  • ×
  • Home
  • Persone
  • Pubblicazioni
  • Strutture
  • Competenze

UNI-FIND
Logo CNR

|

UNI-FIND

cnr.it
  • ×
  • Home
  • Persone
  • Pubblicazioni
  • Strutture
  • Competenze
  1. Pubblicazioni

The role of long-range interactions on the selectivity of gaseous molecule-surface scattering

Articolo
Data di Pubblicazione:
2021
Abstract:
A state-to-state semiclassical collisional method is adopted to emphasize the basic role of long-range interactions on the scattering of gaseous molecules from surfaces. Such role emerges at collision energies sufficiently low to promote efficient trapping in the potential well controlling the physical adsorption. The scattering of hydrogen and oxygen molecules impinging on a graphite surface with a well-defined roto-vibrational state is analysed adopting for each system two potential energy surfaces that differ for some important features. Collision mechanism and final rotational distributions highlight the relation between selectivity of inelastic scattering and peculiarities of the long-range interactions.
Tipologia CRIS:
01.01 Articolo in rivista
Keywords:
Molecular Dynamics simulations; Long-range interactions; Potential Energy Surface; Surface Processes; Roto-Vibrational Distributions; Reaction Mechanism
Elenco autori:
Pirani, Fernando; Rutigliano, Maria
Autori di Ateneo:
RUTIGLIANO MARIA
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/427054
Pubblicato in:
CHEMICAL PHYSICS LETTERS
Journal
  • Dati Generali

Dati Generali

URL

https://www.sciencedirect.com/science/article/abs/pii/S0009261421001275
  • Utilizzo dei cookie

Realizzato con VIVO | Designed by Cineca | 26.5.0.0 | Sorgente dati: PREPROD (Ribaltamento disabilitato)