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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...

Täydet tiedot

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Bibliografiset tiedot
Julkaisussa:Sci Data
Päätekijät: Mamun, Osman, Winther, Kirsten T., Boes, Jacob R., Bligaard, Thomas
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: Nature Publishing Group UK 2019
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC6538633/
https://ncbi.nlm.nih.gov/pubmed/31138814
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41597-019-0080-z
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