Theoretical Simulations of Reactive and Nonreactive Scattering of Light Diatomic Molecules from Metal Surfaces: Past, Present, and Future
Figure 22
Dissociation probability as a function of the incidence energy for O2 on Al(111). Black solid circles: experimental results from [161]; red solid squares: spin-constrained DFT results from [58]; blue triangles: adiabatic results.
