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.

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

Rutigliano Maria;Pirani Fernando
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.
2021
Istituto per la Scienza e Tecnologia dei Plasmi - ISTP
Istituto di Scienze e Tecnologie Chimiche "Giulio Natta" - SCITEC
Molecular Dynamics simulations
Long-range interactions
Potential Energy Surface
Surface Processes
Roto-Vibrational Distributions
Reaction Mechanism
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/427054
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