| Autor: |
Yicheng Wang, Julia Schumann, Elizabeth E. Happel, Volkan Çınar, E. Charles H. Sykes, Michail Stamatakis, Angelos Michaelides, Ryan T. Hannagan |
| Přispěvatelé: |
Schumann, Julia [0000-0002-4041-0165], Sykes, E Charles H [0000-0002-0224-2084], Stamatakis, Michail [0000-0001-8338-8706], Michaelides, Angelos [0000-0002-9169-169X], Hannagan, Ryan T [0000-0001-5634-170X], Apollo - University of Cambridge Repository |
| Rok vydání: |
2022 |
| Předmět: |
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| DOI: |
10.17863/cam.87822 |
| Popis: |
Dicarbonyl species are ubiquitous on Rh/oxide catalysts and are known to form on Rh+ centers. However, dicarbonyl species have never been directly observed on single-atom alloys (SAAs) where the active site is metallic. Herein, using surface science and theoretical modeling, we provide evidence of dicarbonyl species at isolated Rh sites on a RhCu(100) SAA. This approach not only enables us to directly visualize dicarbonyl species at Rh sites but also demonstrates that the transition between the mono- and dicarbonyl configuration can be achieved by changing surface temperature and CO pressure. Density functional theory calculations further support the mono- and dicarbonyl assignments and provide evidence that these species should be stable on other SAA combinations. Together, these results provide a picture of the structure and energetics of both the mono- and dicarbonyl configurations on the RhCu(100) SAA surface and should aid with IR assignments on SAA nanoparticle catalysts. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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