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A density functional study on the reactivity enhancement induced by gold in IrAu nanoalloys
IrAu nanoalloys have been proven to have remarkable reactivity for several reactions. In this work, mixed IrAu nanoalloys of 8, 27, 48 and 64 total atoms were studied in different atomic compositions (Ir(m)Au(n)) using Density Functional Theory (DFT). A notable segregation tendency is observed, wher...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9078919/ https://www.ncbi.nlm.nih.gov/pubmed/35540441 http://dx.doi.org/10.1039/c7ra13347b |