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High-throughput calculations of catalytic properties of bimetallic alloy surfaces

A comprehensive database of chemical properties on a vast set of transition metal surfaces has the potential to accelerate the discovery of novel catalytic materials for energy and industrial applications. In this data descriptor, we present such an extensive study of chemisorption properties of imp...

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Detalles Bibliográficos
Autores principales:	Mamun, Osman, Winther, Kirsten T., Boes, Jacob R., Bligaard, Thomas
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2019
Materias:	Data Descriptor
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6538633/ https://www.ncbi.nlm.nih.gov/pubmed/31138814 http://dx.doi.org/10.1038/s41597-019-0080-z

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