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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...

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Detalles Bibliográficos
Autores principales: Hörmann, Nicolas G., Reuter, Karsten
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
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