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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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| Veröffentlicht in: | Sci Data |
|---|---|
| Hauptverfasser: | , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Nature Publishing Group UK
2019
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| Schlagworte: | |
| Online Zugang: | 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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