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Useful equations for modeling the relative stability of common nanoparticle morphologies

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Barnard, A. S.

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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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Computer Physics Communications

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