Article pubs.acs.org/JPCC
Influence of Surface Symmetry on the Onset of Nitrogen Eley−Rideal Recombination on Tungsten E. Quintas-Sánchez,†,‡,§ P. Larrégaray,*,‡,§ and C. Crespos‡,§ †
InSTEC, Avenida Salvador Allende esq. Luaces, 10600 La Habana, Cuba Université Bordeaux, ISM, UMR5255, F-33400 Talence, France § CNRS, ISM, UMR5255, F-33400 Talence, France ‡
ABSTRACT: Classical trajectory simulations, using potential energy surfaces of ab initio quality, are performed to investigate the influence of crystal symmetry on the Eley−Rideal abstraction dynamics of N atoms colliding, under normal incidence, N-preadsorbed tungsten (100) and (110) surfaces. Low-energy reactivity (
