Au–Rh Surface Structures on Rh(111) DFT Insights into the Formation of an Ordered Surface Alloy /
Surface alloying is an important technique to change chemical properties. In this study, by employing density functional theory (DFT) calculations, the atomic arrangements and energetics of an extensive set of Au–Rh structures in a confined (2 × 1) surface cell on a Rh(111) substrate are investigate...
Elmentve itt :
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| Dokumentumtípus: | Cikk |
| Megjelent: |
2018
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| Sorozat: | JOURNAL OF PHYSICAL CHEMISTRY C
122 No. 39 |
| doi: | 10.1021/acs.jpcc.8b05744 |
| mtmt: | 3422662 |
| Online Access: | http://publicatio.bibl.u-szeged.hu/14973 |