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Electrochemisorption - A Cluster Approach

Kulkarni, GV and Rangarajan, SK (1985) Electrochemisorption - A Cluster Approach. In: Journal of Electroanalytical Chemistry, 196 (2). pp. 375-385.

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A simple semiempirical quantum chemical approach (Extended Huckel Theory) is shown to give a reasonable description of the electronic structural aspects of chemisorption on the mercury model surface. Chemisorptive interaction of alkali metal atoms and cations, halogen atoms and anions, and water molecules with a charge-neutralized hexagonal close-packed cluster of seven Hg atoms is studied. Adsorption of H, C, N and O atoms on the same model cluster is studied for comparison with earlier work. Chemisorption energies, charge transfer, interaction distance and hydration effects are discussed and compared with experimental results where available.

Item Type: Journal Article
Publication: Journal of Electroanalytical Chemistry
Publisher: Elsevier Science
Additional Information: Copyright of this article belongs to Elsevier Science.
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 27 Jan 2010 05:09
Last Modified: 19 Sep 2010 05:45
URI: http://eprints.iisc.ac.in/id/eprint/23249

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