Title
Formation Of Pt Islets On Facets Of Ru Nanoparticles: First-Principles Study
Abstract
We have carried out density-functional-theory-based calculations of the size-dependent formation energy and geometry of Pt islands on Ru(0001) to model Pt-Ru nanocatalysts which have been recently proposed as fuel cell anode. The Pt islands are found to prefer two-dimensional (2D) structures. Furthermore, a monotonic decrease in the formation energy per Pt atom suggests a propensity of Pt atoms to wet the Ru(0001) surface. Calculated energy barriers for the diffusion of Pt monomers and dimers on the facets and through the edges of a superstructure modeling a Ru nanoparticle indicate that these edges help reduce considerably the diffusion rates across them such that the Pt atoms prefer to remain in the facet on which they were adsorbed originally and form 2D islands. © 2008 The American Physical Society.
Publication Date
11-14-2008
Publication Title
Physical Review B - Condensed Matter and Materials Physics
Volume
78
Issue
19
Number of Pages
-
Document Type
Article
Personal Identifier
scopus
DOI Link
https://doi.org/10.1103/PhysRevB.78.195417
Copyright Status
Unknown
Socpus ID
57149129601 (Scopus)
Source API URL
https://api.elsevier.com/content/abstract/scopus_id/57149129601
STARS Citation
Alcántara Ortigoza, Marisol; Stolbov, Sergey; and Rahman, Talat S., "Formation Of Pt Islets On Facets Of Ru Nanoparticles: First-Principles Study" (2008). Scopus Export 2000s. 9221.
https://stars.library.ucf.edu/scopus2000/9221