Understanding Electron Transfer Reactions Using Constrained Density Functional Theory: Complications Due to Surface Interactions

[Image: see text] The kinetic rates of electrochemical reactions depend on electrodes and molecules in question. In a flow battery, where the electrolyte molecules are charged and discharged on the electrodes, the efficiency of the electron transfer is of crucial importance for the performance of th...

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Detalles Bibliográficos
Autores principales: Hashemi, Arsalan, Peljo, Pekka, Laasonen, Kari
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9969872/
https://www.ncbi.nlm.nih.gov/pubmed/36865990
http://dx.doi.org/10.1021/acs.jpcc.2c06537

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9969872/
https://www.ncbi.nlm.nih.gov/pubmed/36865990
http://dx.doi.org/10.1021/acs.jpcc.2c06537

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