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Critical Role of Thermal Fluctuations for CO Binding on Electrocatalytic Metal Surfaces
[Image: see text] This work considers the evaluation of density functional theory (DFT) when comparing against experimental observations of CO binding trends on the strong binding Pt(111) and intermediate binding Cu(111) and for weak binding Ag(111) and Au(111) surfaces important in electrocatalysis...
Autores principales: | Li, Wan-Lu, Lininger, Christianna N., Chen, Kaixuan, Vaissier Welborn, Valerie, Rossomme, Elliot, Bell, Alexis T., Head-Gordon, Martin, Head-Gordon, Teresa |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American
Chemical Society
2021
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8549055/ https://www.ncbi.nlm.nih.gov/pubmed/34723274 http://dx.doi.org/10.1021/jacsau.1c00300 |
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