Effects of the kinetic energy on the hydrogen abstraction dynamics on Cu(1 1 0)

We investigate and discuss the effects of the kinetic energy (Et) of the incident hydrogen atom on the hydrogen abstraction dynamics on Cu(1 1 0) by performing quantum dynamics calculations on an ab initio potential energy surface. Our calculation results show that the hydrogen abstraction probabilities on Cu(1 1 0) initially increase, then decrease, with increasing Et, in the energy range Et=0.05–1.0 [eV]. Furthermore, we show that the mean vibrational energy of the product hydrogen molecules increases with increasing Et, while the mean surface parallel translational energy of the product hydrogen molecules decreases with increasing Et. From these results, we can conclude that increasing Et mainly enhances the excitation of the vibrational motion, rather than the surface parallel motion of product hydrogen molecules.