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Journal Article

The adsorption of atomic nitrogen on Ru(0001): geometry and energetics

MPS-Authors
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Schwegmann,  S.
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

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Seitsonen,  Ari P.
Theory, Fritz Haber Institute, Max Planck Society;

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Dietrich,  H.
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

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Bludau,  H.
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

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Over,  Herbert
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

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Jacobi,  Karl
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

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Ertl,  Gerhard
Physical Chemistry, Fritz Haber Institute, Max Planck Society;

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Citation

Schwegmann, S., Seitsonen, A. P., Dietrich, H., Bludau, H., Over, H., Jacobi, K., et al. (1997). The adsorption of atomic nitrogen on Ru(0001): geometry and energetics. Chemical Physics Letters, 264(6), 680-686. doi:10.1016/S0009-2614(96)01394-2.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0011-1F18-9
Abstract
The local adsoprtion geometries of the (2 × 2)-N and (✓3 × ✓3)R30°-N phases on the Ru(0001) surface are determined by analyzing low-energy electron diffraction intensity data. For both phases, nitrogen occupies the threefold hcp site. The nitrogen sinks deeply into the top Ru layer resulting in a N-Ru interlayer distance of 1.05 and 1.10 Å in the (2 × 2) and the (✓3 × ✓3)R30° unit cell, respectively. This result is attributed to a strong N binding to the Ru surface (Ru-N bond length= 1.93 Å) in both phases as also evidenced by an initio calculations which revealed binding energies of 5.82 and 5.59 eV, respectively.