Abstract
The activation energies and rate constants characterizing dissociative oxygen adsorption on transition and noble metal surfaces are calculated using a previously developed analytical formalism. Three approaches are considered: classical and quantum nonadiabatic approaches as well as a classical adiabatic approach. The results show a nonlinear relationship between the activation energies and the corresponding reaction energies. The effects due to the quantum description of the O-O bond and due to the Condon approximation are discussed. Calculated activation energies are compared with published experimental data.
Original language | English |
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Pages (from-to) | 7957-7966 |
Number of pages | 10 |
Journal | Journal of Physical Chemistry A |
Volume | 109 |
Issue number | 35 |
DOIs | |
State | Published - 8 Sep 2005 |
Externally published | Yes |