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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2019
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| Materias: | |
| 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 |