Structure and stability of a high-coverage (1x1) oxygen phase on Ru(0001)
mtrl-th
2016-09-07 v1 Materials Science
Abstract
The formation of chemisorbed O-phases on Ru(0001) by exposure to O_2 at low pressures is apparently limited to coverages Theta <= 0.5. 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 (Theta = 1) can be formed with a (1x1) 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.
Cite
@article{arxiv.mtrl-th/9607014,
title = {Structure and stability of a high-coverage (1x1) oxygen phase on Ru(0001)},
author = {C. Stampfl and S. Schwegmann and H. Over and M. Scheffler and G. Ertl},
journal= {arXiv preprint arXiv:mtrl-th/9607014},
year = {2016}
}
Comments
RevTeX, 6 pages, 3 figures, to appear in Phys. Rev. Lett