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Appl. Phys. Lett. 96, 093111 (2010); http://dx.doi.org/10.1063/1.3353957 (3 pages)

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

A. Auge, A. Weddemann, B. Vogel, F. Wittbracht, and A. Hütten

Department of Physics, Thin Films and Physics of Nanostructures, Bielefeld University, 33501 Bielefeld, Germany

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(Received 7 October 2009; accepted 11 February 2010; published online 4 March 2010)

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)] .

© 2010 American Institute of Physics

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KEYWORDS and PACS

PACS

  • 81.07.Bc

    Nanocrystalline materials

  • 61.46.Df

    Structure of nanocrystals and nanoparticles ("colloidal" quantum dots but not gate-isolated embedded quantum dots)

  • 81.16.Pr

    Micro- and nano-oxidation

  • 64.70.-p

    Specific phase transitions

  • 02.70.Dh

    Finite-element and Galerkin methods

ARTICLE DATA

PUBLICATION DATA

ISSN

0003-6951 (print)  
1077-3118 (online)

For access to fully linked references, you need to log in.
    J. C. Yang, D. Evan, and L. Tropia, Appl. Phys. Lett. 81, 241 (2002)APPLAB000081000002000241000001.

    A. T. Fromhold and E. A. Cook, Phys. Rev. 158, 600 (1967).


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