Morphology of mesoscopic Rh and Pd nanoparticles under oxidizing conditions
- Author(s)
- Florian Mittendorfer, Nicola Seriani, Orest Dubay, Georg Kresse
- Abstract
The thermodynamic equilibrium shape of rhodium and palladium crystals are predicted under conditions from ultrahigh vacuum to high oxygen pressures using the Gibbs-Wulff construction. The analysis is based on data obtained from ab initio calculations for the adsorption of oxygen on the low-index (111), (100), and (110) surfaces, and the stepped (311), (211), and (331) surfaces. While the close-packed (111) facets dominate the shape in the low-coverage cases, the higher adsorption energies at the more open surfaces lead to a rounding of the crystallite. A linear correlation between the surface energies of the clean surfaces and the respective adsorption energies is found. © 2007 The American Physical Society.
- Organisation(s)
- Computational Materials Physics
- Journal
- Physical Review B
- Volume
- 76
- No. of pages
- 4
- ISSN
- 1098-0121
- DOI
- https://doi.org/10.1103/PhysRevB.76.233413
- Publication date
- 2007
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 1030 Physics, Astronomy
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/morphology-of-mesoscopic-rh-and-pd-nanoparticles-under-oxidizing-conditions(11963a59-0b8a-46bd-a647-84e29df1ca41).html