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...

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Detalles Bibliográficos
Autores principales: Li, Wan-Lu, Lininger, Christianna N., Chen, Kaixuan, Vaissier Welborn, Valerie, Rossomme, Elliot, Bell, Alexis T., Head-Gordon, Martin, Head-Gordon, Teresa
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

Internet

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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