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A level set based approach for modeling oxidation processes of ligand stabilized metallic nanoparticles

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5 Author(s)
Auge, A. ; Department of Physics, Thin Films and Physics of Nanostructures, Bielefeld University, 33501 Bielefeld, Germany ; Weddemann, A. ; Vogel, B. ; Wittbracht, F.
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The oxidation behavior of metallic nanoparticles is investigated in respect to ligand influences. The nanoparticle oxidation is modeled in a shell-core approach. The shell represents oxidation of surface atoms modeled by Johnson–Mehl–Avrami–Kolmogorov equations for isothermal growth. The oxidation of the nanoparticle core is described by a model introduced by Cabrera and Mott [Rep. Prog. Phys. 12, 163 (1949)]. In order to investigate the ligand influence one single parameter is introduced for both surface and bulk oxidation. The growth of the oxide layer is simulated in a level set framework via finite element methods. The theoretical results are compared to experimental findings of Kanninen etal [J. Coll. Interf. Sci. 318, 88 (2008)].

Published in:

Applied Physics Letters  (Volume:96 ,  Issue: 9 )

Date of Publication:

Mar 2010

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