Contraction of diatomic molecules upon chemisorption |
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Authors: | J.K. Nørskov H. Hjelmberg B.I. Lundqvist |
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Affiliation: | Institute of Physics, University of Aarhus, DK - 8000 Århus, Denmark;Institute of Theoretical Physics, Chalmers University of Technology, S - 402 20 Göteborg, Sweden |
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Abstract: | On the basis of self-consistent model calculations for H2 standing upright on a jellium surface it is shown that contraction of a molecular bond is possible upon chemisorption in spite of a weakened intramolecular interaction. This leads us to point out the possibility of a reduced bond length for CO on Ni (100). A large enough reduction would make the recent conflicting LEED and angular resolved UPS data for this system compatible. |
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