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The formation of chemisorbed O-phases on Ru(0001) by exposure to O_2 at lowpressures is apparently limited to coverages Theta <= 0.5. Using low-energyelectron diffraction and density functional theory we show that thisrestriction is caused by kinetic hindering and that a dense O overlayer (Theta= 1) can be formed with a (1x1) periodicity. The structural and energeticproperties of this new adsorbate phase are analyzed and discussed in view ofattempts to bridge the so-called "pressure gap" in heterogeneous catalysis. Itis argued that the identified system actuates the unusually high rate ofoxidizing reactions at Ru surfaces under high oxygen pressure conditions.Comment: RevTeX, 6 pages, 3 figures, to appear in Phys. Rev. Let

physical review letters

Structure and Stability of a High-Coverage<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>(</mml:mo><mml:mn>1</mml:mn><mml:mo>×</mml:mo><mml:mn>1</mml:mn><mml:mo>)</mml:mo></mml:math>Oxygen Phase on Ru(0001)

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