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Single-atom alloy catalysts designed by first-principles calculations and artificial intelligence

Single-atom-alloy catalysts (SAACs) have recently become a frontier in catalysis research. Simultaneous optimization of reactants’ facile dissociation and a balanced strength of intermediates’ binding make them highly efficient catalysts for several industrially important reactions. However, discove...

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Detalles Bibliográficos
Autores principales:	Han, Zhong-Kang, Sarker, Debalaya, Ouyang, Runhai, Mazheika, Aliaksei, Gao, Yi, Levchenko, Sergey V.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7988173/ https://www.ncbi.nlm.nih.gov/pubmed/33758170 http://dx.doi.org/10.1038/s41467-021-22048-9

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