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Solid State Communications
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Interpretation of the photoemission spectrum of chemisorbed carbon monoxide on Ni (100)

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Abstract

Cluster model calculations suggest that the molecular orbitals of CO are significantly perturbed upon chemisorption on Ni. The CO-Ni interaction is found to involve the Ni-d electrons in addition to the s-and p-derived states, contrary to some earlier suggestions. Based on our results, a new interpretation is proposed for the observed photoemission spectra of CO on Ni, which is consistent with the large bonding and relaxation shifts in other systems. © 1975.

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Solid State Communications

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