Reactive ion scattering from ice in a molecular dynamics perspective

The thickness of the ice structure at the surface greatly affects the abstraction efficiency. From a thin ice overlayer all alkaline ions exhibit similar scattering probabilities, but Cs+ abstracts water molecules most efficiently; its lower speed facilitates a mechanism where the Cs+ in its outgoing trajectory pulls water molecules out of the ice structure. From a thick ice structure the scattering probabilities decrease dramatically due to an effective energy transfer to the ice structure. A more grazing angle of incidence reduces the energy transfer and enhances the scattering probabilities for the lighter alkaline ions. The deprived formation of ion-water clusters in the simulations confirms that from thick ice the cluster formation probability is reduced by at least three orders of magnitude.