Surface temperature effects on the dynamics of N2 Eley-Rideal recombination on W(100)

Quasiclassical trajectories simulations are performed to study the influence of surface temperature on the dynamics of a N atom colliding a N-preadsorbed W(100) surface under normal incidence. A generalized Langevin surface oscillator scheme is used to allow energy transfer between the nitrogen atoms and the surface. The influence of the surface temperature on the N-2 formed molecules via Eley-Rideal recombination is analyzed at T = 300, 800, and 1500 K. Ro-vibrational distributions of the N-2 molecules are only slightly affected by the presence of the thermal bath whereas kinetic energy is rather strongly decreased when going from a static surface model to a moving surface one. In terms of reactivity, the moving surface model leads to an increase of atomic trapping cross section yielding to an increase of the so-called hot atoms population and a decrease of the direct Eley-Rideal cross section. The energy exchange between the surface and the nitrogen atoms is semi-quantitatively interpreted by a simple binary collision model. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4774024]