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A Comprehensive Understanding of the Melting Temperature of Nanocrystals: Implications for Catalysis
journal contribution
posted on 2020-01-16, 21:46 authored by Tiedan Chen, Yanli Ma, Xianliang Fu, Ming LiThe melting temperature of nanocrystals,
an important property determining the thermal stability and catalytic
activity of nanocatalysts, can be tailored by manipulating the size,
dimensionality, interface, and composition. Although many studies
have been performed on this topic, a comprehensive understanding of
the melting temperature of nanocrystals remains deficient. To clarify
the synergistic influences of the aforementioned parameters, a thermodynamic
model is established from the perspective of the Gibbs free energy
along with the size-dependent interface energy. The established model,
containing no adjustable parameters, is valid for determining the
melting temperature of nanocrystals (single-component nanocrystals
or binary nanoalloys) of different sizes, dimensionalities, interface
conditions, and compositions. Subsequently, the model calculations
are compared with the corresponding experimental and simulation values.
The observed consistency between the former and the latter confirms
the validity and universality of the established model, which provides
an opportunity to better understand the melting behaviors of nanocrystals.