Nonmonotonic dissociative adsorption of vibrationally excited H2 on metal surfaces

G. LAURENT; C. DÍAZ; H.F. BUSNENGO; F. MARTÍN

PHYSICAL REVIEW B

AMER PHYSICAL SOC

Lugar: Mariland; Año: 2010 vol. 81 p. 161404 - 161407

1098-0121

Spurred by recent experimental developments in the production of vibrationally excited molecular beams to study reactive scattering on metal surfaces, we have carried out six-dimensional quasiclassical and quantum dynamics simulations for several H2(v>0)-surface systems. We predict a general nonmonotonic behavior of dissociative adsorption of vibrationally excited H2(v,J=0) molecules as a function of incidence energy whenever this process becomes nonactivated. This prediction is based on results obtained for up to five different activated systems, including pure [Pt(111) and Cu(110)], bimetallic alloy [NiAl(110)], and bimetallic pseudomorphic [Pd/Ru(0001) and Cu/Ru(0001)] surfaces.