Effect of ionβelectrode contact on the e
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Xinfu Xia; Max L. Berkowitz
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Article
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1994
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Elsevier Science
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English
β 555 KB
Using molecular dynamics computer simulation technique we studied the effect of the ion-electrode contact on the energetics of electron transfer reactions. We observed that when the solvation shell of the ion undergoes large changes due to the ion transfer from the bulk to the interface, the energet