Published in

American Physical Society, Physical Review Letters, 9(101), 2008

DOI: 10.1103/physrevlett.101.096104

Links

Tools

Export citation

Search in Google Scholar

Fingerprints for Spin-Selection Rules in the Interaction Dynamics ofO2at Al(111)

Journal article published in 2008 by Christian Carbogno ORCID, Jörg Behler, Axel Groß, Karsten Reuter
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

Full text: Unavailable

Green circle
Preprint: archiving allowed
Green circle
Postprint: archiving allowed
Green circle
Published version: archiving allowed
Data provided by SHERPA/RoMEO

Abstract

We perform mixed quantum-classical molecular dynamics simulations based on first-principles potential-energy surfaces to demonstrate that the scattering of a beam of singlet O2 molecules at Al(111) will enable an unambiguous assessment of the role of spin-selection rules for the adsorption dynamics. At thermal energies we predict a sticking probability that is substantially less than unity, with the repelled molecules exhibiting characteristic kinetic, vibrational and rotational signatures arising from the nonadiabatic spin transition.