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Predicting Segregation Energy in Single Atom Alloys Using Physics and Machine Learning

[Image: see text] Single atom alloys (SAAs) show great promise as catalysts for a wide variety of reactions due to their tunable properties, which can enhance the catalytic activity and selectivity. To design SAAs, it is imperative for the heterometal dopant to be stable on the surface as an active...

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Detalles Bibliográficos
Autores principales: Salem, Maya, Cowan, Michael J., Mpourmpakis, Giannis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8830057/
https://www.ncbi.nlm.nih.gov/pubmed/35155939
http://dx.doi.org/10.1021/acsomega.1c06337