Potential energy surface morphology and the variation of dissociative chemisorption probabilities with kinetic energy and angle: N2/W(110)

Stochastic molecular dynamics simulations are used to calculate the dissociation probability S0 of N2 on W(110). The results obtained are in good agreement with the experimental data both in magnitude and dependence on incident kinetic energy and angle. The dependence of S0 on the total kinetic energy, in distinction to the normal kinetic energy, is interpreted in terms of the narrow and steep transition state region and the attractive well of the potential energy surface.