DISSOCIATIVE CHEMISORPTION OF N-2 ON RU(001) ENHANCED BY VIBRATIONAL AND KINETIC-ENERGY - MOLECULAR-BEAM EXPERIMENTS AND QUANTUM-MECHANICALCALCULATIONS
L. Romm et al., DISSOCIATIVE CHEMISORPTION OF N-2 ON RU(001) ENHANCED BY VIBRATIONAL AND KINETIC-ENERGY - MOLECULAR-BEAM EXPERIMENTS AND QUANTUM-MECHANICALCALCULATIONS, JOURNAL OF PHYSICAL CHEMISTRY B, 101(12), 1997, pp. 2213-2217
The dissociation probability of N-2 on Ru(001) increases from 5 x 10(-
7) at a kinetic energy of 0.15 eV to 10(-2) at 4.0 eV. Vibrational exc
itation of the impinging nitrogen molecules enhances the dissociation
more than the equivalent energy in translation. Its relative importanc
e increases as the incident kinetic energy grows. The dissociation was
found to be surface temperature independent at all incident kinetic e
nergies, in agreement with theoretical predictions based on quantum me
chanical nonadiabatic calculations. These simulations reproduce accura
tely the kinetic energy dependence of So over the entire energy range,
suggesting that N-2 tunnels from the molecular to the adsorbed atomic
state through an effective barrier of 2.2 eV.