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How Carbon Monoxide Adsorbs in Different Sites

2000; American Physical Society; Volume: 85; Issue: 15 Linguagem: Inglês

10.1103/physrevlett.85.3309

1092-0145

Alexander Föhlisch, M. Nyberg, Jørgen B. Hasselstrøm, Olof Karis, Lars G. M. Pettersson, Anders Nilsson,

nanoparticles nucleation surface interactions

The interplay between the electronic and the geometric structure of adsorbates is of fundamental importance for the understanding of many surface phenomena. Using x-ray emission spectroscopy and ab initio cluster calculations, this issue has been investigated in unprecedented detail for CO adsorption in different adsorption sites. The investigation establishes pi bonding and sigma repulsion, both increasing with the number of coordinated metal atoms. The two contributions partly compensate each other, leading to only small differences in adsorption energies for the different adsorption sites despite very large variations in the electronic structure.