Ferrocene Molecular Architectures Grafted on Si(111): A Theoretical Calculation of the Standard Oxidation Potentials and Electron Transfer Rate Constant

The standard oxidation potential and the electron transfer (ET) rate constants of two silicon-based hybrid interfaces, Si(111)/organic-spacer/Ferrocene, are theoretically calculated and assessed. The dynamics of the electrochemical driven ET process is modeled in terms of the classical donor/accepto...

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Bibliographic Details
Main Authors: Claudio Fontanesi, Massimo Innocenti, Davide Vanossi, Enrico Da Como
Format: Article
Language:English
Published: MDPI AG 2017-09-01
Series:Materials
Subjects:
Online Access:https://www.mdpi.com/1996-1944/10/10/1109