Rotational effects in the dissociation of H on metal surfaces
نویسندگان
چکیده
By performing six-dimensional quantum-dynamical calculations on potential energy surfaces derived from density Ž . Ž . functional theory total-energy calculations, we have determined the sticking probability of H on Rh 100 , Pd 100 and 2 Ž . Ag 100 . In particular, we have focused on the dependence of the sticking probability on the initial rotational state of the impinging hydrogen beam. The dynamical results are related to features of the relevant potential energy surface. q 1999 Elsevier Science B.V. All rights reserved.
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