Abstract
Chemisorptive properties of simple gases on transition metal clusters are shown to be closely related to their electronic properties. These properties depend on the size and roughness of the cluster. Striking modification of the electronic properties from the bulk appear for atomic sites having a low coordination number. Spin orbit coupling play an important role for the third series, and induce differences in chemisorptive properties between Ni and Pt. Trends and order of magnitude of binding energies of simple gases, such as hydrogen, oxygen, sulphur are calculated.
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Cyrot-Lackmann, F. (1982). Chemisorptive Properties of Transition Metal Clusters. In: Daudel, R., Pullman, A., Salem, L., Veillard, A. (eds) Quantum Theory of Chemical Reactions. Quantum Theory Chemical Reactions, vol 3. Springer, Dordrecht. https://doi.org/10.1007/978-94-015-6918-7_3
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DOI: https://doi.org/10.1007/978-94-015-6918-7_3
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