Journal
PHYSICAL REVIEW LETTERS
Volume 101, Issue 9, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.101.096104
Keywords
-
Categories
Funding
- Deutsche Forschungsgemeinschaft [RE 1509/7-1, GR 1503/17-1]
- Academy of Sciences of NRW
- Fonds der Chemischen Industrie
Ask authors/readers for more resources
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 O(2) 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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available