#3450. Approaches to modelling the shape of nanocrystals

October 2026publication date
Proposal available till 25-05-2025
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Journal’s subject area:
Communication;
Arts and Humanities (miscellaneous);
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Abstract:
Unlike in the bulk, at the nanoscale shape dictates properties. The imperative to understand and predict nanocrystal shape led to the development, over several decades, of a large number of mathematical models and, later, their software implementations. The multitude of published software implementations of these Wulff-based shape models are described in detail, describing their technical aspects, advantages and limitations. Finally, a discussion of the scientific applications of shape models to either predict shape or use shape to deduce thermodynamic and/or kinetic parameters is offered, followed by a conclusion. This review provides a guide for scientists looking to model crystal shape in a field where ever-increasingly complex crystal shapes and compositions are required to fulfil the exciting promises of nanotechnology.
Keywords:
Nanoparticle shape; Shape modelling; Shape modelling tools; Winterbottom construction; Wulff construction

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