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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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| 發表在: | J Chem Theory Comput |
|---|---|
| Main Authors: | , |
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
American
Chemical Society
2021
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| 在線閱讀: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8023662/ https://ncbi.nlm.nih.gov/pubmed/33606513 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c01166 |
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