Adsorption characteristics of CO and N2 on RuO2(110)

Y. D. Kim, A. P. Seitsonen, and H. Over
Phys. Rev. B 63, 115419 – Published 2 March 2001
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Abstract

Low-energy electron diffraction and density-functional theory calculations are used to examine the adsorption properties of CO and N2 on RuO2(110). Both molecules adsorb over the coordinatively unsaturated Ru sites (cus-Ru atoms) with their molecular axes normal to the surface plane. The chemisorption mechanism is well described within a donor-acceptor model, i.e., the Blyholder model. Since N2 is not reacting with lattice oxygen of RuO2, quite in contrast to CO, N2 may serve as a chemical, nondestructive probe to titrate but also to selectively block the cus-Ru atoms; recently, the cus-Ru atoms were shown to be the active centers for the chemisorption of molecules.

  • Received 9 August 2000

DOI:https://doi.org/10.1103/PhysRevB.63.115419

©2001 American Physical Society

Authors & Affiliations

Y. D. Kim, A. P. Seitsonen*, and H. Over

  • Department of Physical Chemistry, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany

  • *Also at INFM, Unità di Roma, Dipto. di Fisica, Università La Sapienza, P.’le A. Moro 2, I-00185 Roma, Italy. IPP Garching, Boltzmannstr. 2, D-85748 Garching, Germany.
  • Corresponding author. FAX: +49-30-8413-5106. Email address: over@fhi-berlin.mpg.de URL: http://w3.rz-berlin.mpg.de/pc/pc.html

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Vol. 63, Iss. 11 — 15 March 2001

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