Kinetics of catalytic OH dissociation on metal surfaces

Ernst D. German*, Moshe Sheintuch

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

A tunnel mechanism of OH dissociation reaction on metal surfaces is suggested and analyzed. Expressions for the rate constant and the activation energy are obtained by calculating the transition probability on semiempirical potential energy surfaces in the framework of the nonadiabatic perturbation theory. The analysis of the transition probability leads to a linear Brønsted-Evans-Polanyi (BEP) relationship between the activation energies and the surface reaction energies (ΔI), correlated by E a = 0.73ΔI + 18 (kcal/mol). This relationship is compared with published literature data. The effect of the electron coupling on the pre-exponential factor is discussed, and the kinetic isotope effect of hydrogen for the reaction is predicted.

Original languageEnglish
Pages (from-to)5700-5709
Number of pages10
JournalJournal of Physical Chemistry C
Volume116
Issue number9
DOIs
StatePublished - 8 Mar 2012
Externally publishedYes

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