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Updated: Jun 29, 2026

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
Published on: June 28, 2018
Fingerprints for spin-selection rules in the interaction dynamics of O2 at Al(111)
Christian Carbogno1, Jörg Behler, Axel Grob
1Institut für Theoretische Chemie, Universität Ulm, D-89069 Ulm, Germany.
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.
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