Theoretical Simulations of Reactive and Nonreactive Scattering of Light Diatomic Molecules from Metal Surfaces: Past, Present, and Future
Figure 12
Dissociative adsorption probability of H2, in its rovibrational ground state , as a function of the incidence energy. (a) Quantum calculations for Pd(111) (black line) [62]; Pd(100) (green line) [28]. (b) Classical calculations for Pd(111) (black line) [83]; Ni(110) (red line) [35].
