Test of the Transferability of the Specific Reaction Parameter Functional for H₂ + Cu(111) to D₂ + Ag(111).

The experimentalists claimed that the sticking of all vibrational levels ν < 4 may be significant and must be included in modeling the experimental data. 33 Our calculations show that the contributions of the initial vibrational states in the D 2 molecule dissociating on the surface are 3% for ν = 1, 8% for ν = 2, 52% for ν = 3, 31% for ν = 4, and 5% for ν = 5, when the average incidence energy of the beam is 0.486 eV and T n = 2012 K.

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