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

Auge, A.; Weddemann, A.; Vogel, B.; Wittbracht, F.; Hütten, A.
March 2010
Applied Physics Letters;3/1/2010, Vol. 96 Issue 9, p093111
Academic Journal
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 et al. [J. Coll. Interf. Sci. 318, 88 (2008)].


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