Dresden 2009 – scientific programme

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O: Fachverband Oberflächenphysik

O 3: Oxides and insulators I

O 3.2: Talk

Monday, March 23, 2009, 11:30–11:45, SCH A01

First–Principles Study of the Growth Kinetics of 1D Pd Islands on SnO₂ — •Alexander Urban and Bernd Meyer — Interdisziplinäres Centrum für Molekulare Materialien (ICMM), Friedrich–Alexander–Universität Erlangen–Nürnberg

The vapor deposition of Pd on a reduced SnO₂(101) surface leads to the formation of one–dimensional (1D) nanowires. Scanning tunneling microscopy reveals the growth of islands with a monoatomic height and a width of 5 Å and a length of up to 350 Å [1]. Nanowires and 1D conductors are potential building blocks of nanoscale devices. For the design of nanowires with specific properties it is essential to fully understand the atomistic processes that lead to this for metal oxide substrates unusual overlayer growth. In order to gain insight into the energetics and the kinetics of the growth of Pd islands on SnO₂(101) surfaces, the system has been studied by first–principles DFT slab calculations [1] as well as by kinetic Monte–Carlo (kMC) simulations. It is found that a pronounced 1D diffusion, combined with a strong interaction of Pd with the surface Sn atoms and the lack of stable binding sites at the sides of the nanowires are responsible for the formation of the 1D islands.

[1] K. Katsiev, M. Batzill, U. Diebold, A. Urban, and B. Meyer, Growth of One-Dimensional Pd Nanowires on the Terraces of a Reduced SnO₂(101) Surface Phys. Rev. Lett. 98 (2007) 186102