Efficient Machine-Learning-Aided Screening of Hydrogen Adsorption on Bimetallic Nanoclusters

[Image: see text] Nanoclusters add an additional dimension in which to look for promising catalyst candidates, since catalytic activity of materials often changes at the nanoscale. However, the large search space of relevant atomic sites exacerbates the challenge for computational screening methods...

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Detalles Bibliográficos
Autores principales: Jäger, Marc O. J., Ranawat, Yashasvi S., Canova, Filippo Federici, Morooka, Eiaki V., Foster, Adam S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7739401/
https://www.ncbi.nlm.nih.gov/pubmed/33147012
http://dx.doi.org/10.1021/acscombsci.0c00102

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7739401/
https://www.ncbi.nlm.nih.gov/pubmed/33147012
http://dx.doi.org/10.1021/acscombsci.0c00102

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