Structure and Stability of a High-Coverage (1×1) Oxygen Phase on Ru(0001)

C. Stampfl, S. Schwegmann, H. Over, M. Scheffler, and G. Ertl
Phys. Rev. Lett. 77, 3371 – Published 14 October 1996
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Abstract

The formation of chemisorbed O phases on Ru(0001) by exposure to O2 at low pressures is apparently limited to coverages Θ0.5. Using low-energy electron diffraction and density-functional theory we show that this restriction is caused by kinetic hindering and that a dense O overlayer (Θ=1) can be formed with a (1×1) periodicity. The structural and energetic properties of this new adsorbate phase are analyzed and discussed in view of attempts to bridge the so-called “pressure gap” in heterogeneous catalysis. It is argued that the identified system actuates the unusually high rate of oxidizing reactions at Ru surfaces under high oxygen pressure conditions.

  • Received 27 February 1996

DOI:https://doi.org/10.1103/PhysRevLett.77.3371

©1996 American Physical Society

Authors & Affiliations

C. Stampfl, S. Schwegmann, H. Over, M. Scheffler, and G. Ertl

  • Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin-Dahlem, Germany

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Vol. 77, Iss. 16 — 14 October 1996

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