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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| 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 |