Active sites for N2 dissociation on ruthenium

S.G. Shetty, A.P.J. Jansen, R.A. Santen, van

Research output: Contribution to journalArticleAcademicpeer-review

28 Citations (Scopus)


In this letter, we investigate the reaction paths for the N2 dissociation on the Ru(112¯1) surface. Our results show that the N 2 molecule has two preactivated states where it is in a 4-fold coordination. The reaction path which involves the N2 in a B5 coordination in the transition state has an apparent activation energy of 19 kJ/mol. This is about 16 kJ/mol lower than the path in which N2 has a B4 coordination. Our results confirm that it is a B5 coordination of the N2 in the transition state that leads to a low dissociation barrier and that such a coordination may be found on stepped, double stepped, and open surfaces as well as nanoparticles. © 2008 American Chemical Society.
Original languageEnglish
Pages (from-to)17768-17771
JournalJournal of Physical Chemistry C
Issue number46
Publication statusPublished - 2008


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