Understanding molecular and electrochemical charge transfer: theory and computations

Author:

Nazmutdinov Renat R.1ORCID,Shermokhamedov Shokirbek A.1ORCID,Zinkicheva Tamara T.1,Ulstrup Jens12ORCID,Xiao Xinxin3ORCID

Affiliation:

1. Department of Inorganic Chemistry, Kazan National Research Technological University, K. Marx Str., 68, 420015 Kazan, Republic of Tatarstan, Russian Federation

2. Department of Chemistry, Technical University of Denmark, Building 207, Kemitorvet, 2800 Kongens Lyngby, Denmark

3. Department of Chemistry and Bioscience, Aalborg University, 9220 Aalborg, Denmark

Abstract

We overview theory and computations of electron, proton, and proton-coupled electron transfer processes in chemistry and electrochemistry. We combine the theoretical views with evolving single-molecule electrochemistry.

Funder

Russian Science Foundation

Novo Nordisk Fonden

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Reference73 articles.

1. Electrochemical Surface Science

2. A. M.Kuznetsov and J.Ulstrup , Electron Transfer in Chemistry and Biology: An Introduction to the Theory , Wiley , Chichester , 1999

3. Single-Molecule Electron Transfer in Electrochemical Environments

4. Complex single‐molecule and molecular scale entities in electrochemical environments: Mechanisms and challenges

5. R. R.Nazmutdinov and J.Ulstrup , Retrospective and Prospective Views of Electrochemical Electron Transfer Processes: Theory and Computations , in Atomic Scale Modelling of Electrochemical Systems , ed. M. M. Melander , T. T. Laurila and K. Laasonen , Wiley , Chichester , 2022 , pp. 27–91

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