Electrochemisorption - a cluster approach

Kulkarni, G. V. ; Rangarajan, S. K. (1985) Electrochemisorption - a cluster approach Journal of Electroanalytical Chemistry and Interfacial Electrochemistry, 196 (2). pp. 375-385. ISSN 0022-0728

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Official URL: http://www.sciencedirect.com/science/article/pii/0...

Related URL: http://dx.doi.org/10.1016/0022-0728(85)80034-6


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:Article
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ID Code:81241
Deposited On:04 Feb 2012 12:35
Last Modified:04 Feb 2012 12:35

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