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Effect of ion—electrode contact on the energetics of the heterogeneous electron transfer

✍ Scribed by Xinfu Xia; Max L. Berkowitz


Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
555 KB
Volume
227
Category
Article
ISSN
0009-2614

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✦ Synopsis


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 energetics of the reaction at the interface differs substantially from the energetics of the reaction in bulk.


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