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Thermodynamic Cyclic Voltammograms Based on Ab Initio Calculations: Ag(111) in Halide-Containing Solutions
[Image: see text] Cyclic voltammograms (CVs) are a central experimental tool for assessing the structure and activity of electrochemical interfaces. Based on a mean-field ansatz for the interface energetics under applied potential conditions, we here derive an ab initio thermodynamics approach to ef...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8023662/ https://www.ncbi.nlm.nih.gov/pubmed/33606513 http://dx.doi.org/10.1021/acs.jctc.0c01166 |