Influence of Surface Symmetry on the Onset of Nitrogen Eley–Rideal

May 9, 2014 - InSTEC, Avenida Salvador Allende esq. Luaces, 10600 La Habana, Cuba. ‡. Université Bordeaux, ISM, UMR5255, F-33400 Talence, France. Â...
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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 (