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Useful equations for modeling the relative stability of common nanoparticle morphologies

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Date

2011

Authors

Barnard, A. S.

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Research Projects

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Abstract

Computational modeling of realistic nanostructures requires the description of polyhedral (rather than spherical) structures in order to investigate a range of anisotropic phenomena. Presented here is a simple thermodynamic model for exploring the relative stability of faceted nanocrystals, and the set of equations needed to model common shapes in the isometric crystal system.

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Keywords

Modelling, Nanomorphology, Shape, Thermodynamics

Citation

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https://hdl.handle.net/1885/733766346

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ANU Research Publications

Source

Computer Physics Communications

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Journal article

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Publication

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DOI

10.1016/j.cpc.2010.07.034

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