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Size, dimensionality and composition effects on Debye temperature of nanocrystals

Abstract

As an important property for reflecting the binding forces between atoms, Debye temperature of nanocrystals can be tuned by size, dimensionality and composition. In order to understand how these factors influence Debye temperature, in this contribution, a new nanothermodynamic model without any adjustable parameter was established by considering the surface stress and bond number simultaneously. As expected, the Debye temperature decreases with size decreasing if the dimensionality is given, while the size effect on nanowires is stronger than that on thin films and weaker than that on nanoparticles. It is also found that Debye temperature of nanoalloys decreases with the increasing of the component with smaller cohesive energy for the same size and dimensionality. The validity of the model is proved by the good consistency between the model predictions and experimental, computer simulation results.

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Publication details

The article was received on 02 Aug 2018, accepted on 09 Oct 2018 and first published on 10 Oct 2018


Article type: Paper
DOI: 10.1039/C8CP04935A
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Size, dimensionality and composition effects on Debye temperature of nanocrystals

    Y. L. Ma, K. Zhu and M. Li, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP04935A

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