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Ab initio calculations have been performed to obtain analytical potential functions for describing the interactions between a platinum surface and both lithium and iodide ions. The accuracy of the results is tested by model calculations with large basis sets and the inclusion of correlation energy. The potentials obtained are to be used in computer simulations of electrochemical phenomena near solid–liquid interfaces.
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Seitz‐Beywl et al. (1992) studied this question.
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