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Theoretical design of a technetium-like alloy and its catalytic properties
Based on the concept of density of states (DOS) engineering, we theoretically designed a pseudo-Tc material (Mo–Ru alloy) and investigated its electronic structure, phase stability and catalytic activity by using density functional theory. Through comparing the DOS shape, peak distribution, and DOS...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6566293/ https://www.ncbi.nlm.nih.gov/pubmed/31293728 http://dx.doi.org/10.1039/c9sc00912d |