期刊
ACS APPLIED NANO MATERIALS
卷 3, 期 2, 页码 1583-1591出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsanm.9b02365
关键词
thermodynamic model; melting temperature; catalysis; size effect; interface; composition
资金
- National Natural Science Foundation of China [51301073]
- Outstanding Youth Foundation of Anhui Province [1808085J24]
- Natural Science Foundation of Anhui Higher Education Institutions of China [KJ2016A629]
The 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.
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