Dresden 2014 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

O: Fachverband Oberflächenphysik

O 20: Nanostructures at Surfaces II

O 20.11: Vortrag

Montag, 31. März 2014, 18:30–18:45, WIL B321

Unraveling structural and catalytic properties of Au-Pt nanoalloys — •Linn Leppert¹, Rodrigo Q. Albuquerque², Adam S. Foster³, and Stephan Kümmel¹ — ¹Theoretical Physics IV, University of Bayreuth, Germany — ²Institute of Chemistry of Sao Carlos, University of Sao Paulo, Sao Carlos, Brazil — ³COMP/Department of Applied Physics, Aalto University School of Science, Aalto, Finland

The high catalytic activity of Au nanoparticles (NPs) is a prime example for the special properties of metal clusters. By alloying, e.g. with Pt, the properties of Au NPs can further be significantly improved. However, the fundamental question of why alloying improves the NP properties is still poorly understood. Moreover, there is an ongoing debate on the mixing patterns of these systems. While theory predicts core-shell NPs, homogeneously mixed NPs are observed in experiment. In this contribution we address structural and electronic properties of Au-Pt NPs using density functional theory and semi-empirical molecular dynamics simulations. We show that the discrepancy between theory and experiment might have its reason in a misinterpretation of x-ray diffraction patterns. Furthermore, we discuss that special catalytic properties of Au-Pt NPs are expected based on general considerations, i.e., inherent properties of the Au and Pt component, respectively.