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Why halides enhance heterogeneous metal ion charge transfer reactions
The reaction kinetics of many metal redox couples on electrode surfaces are enhanced in the presence of halides (i.e., Cl(−), Br(−), I(−)). Using first-principles metadynamics simulations, we show a correlation between calculated desorption barriers of V(3+)–anion complexes bound to graphite via an...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8494035/ https://www.ncbi.nlm.nih.gov/pubmed/34703556 http://dx.doi.org/10.1039/d1sc03642d |