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Wulff Construction for Alloy Nanoparticles

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journal contribution
posted on 10.08.2011, 00:00 by E. Ringe, R. P. Van Duyne, L. D. Marks
The Wulff construction is an invaluable tool to understand and predict the shape of nanoparticles. We demonstrate here that this venerable model, which gives a size-independent thermodynamic shape, becomes size dependent in the nanoscale regime for an alloy and that the infinite reservoir approximation breaks down. The improvements in structure and energetic modeling have wide-ranging implications both in areas where energetics govern (e.g., nucleation and growth) and where the surface composition is important (e.g., heterogeneous catalysis).