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Size- and shape-dependent melting enthalpy and entropy of nanoparticles

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Abstract

A theoretical model free of any adjustable parameter was derived based on the relation between Gibbs energy change and size to describe the size- and shape-dependent behavior of the melting enthalpy and entropy of nanoparticles. For the melting enthalpy and entropy of vanadium (V), silver (Ag), and copper (Cu) nanoparticles, the results of pure theoretical calculation are in good agreement with available molecular dynamic results. The effect of size on the melting enthalpy and entropy of nanoparticles is greater compared to that of shape effect. The melting enthalpy and entropy decrease with particle size decreasing and the smaller the particle size, the greater the size and shape effects. Furthermore, at the same equivalent diameter, the more the shape of nanoparticles deviates from that of the sphere, the smaller the melting enthalpy and entropy. The thermodynamic relations derived herein can quantitatively describe the influence regularities of size and shape on the melting thermodynamic properties of nanoparticles.

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Acknowledgements

The authors are very grateful for the financial support from the National Natural Science Foundation of China (Nos. 21373147 and 21573157).

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Authors and Affiliations

  1. Department of Applied Chemistry, Taiyuan University of Technology, Taiyuan, 030024, China

    Qingshan Fu, Jinhua Zhu, Yongqiang Xue & Zixiang Cui

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  1. Qingshan Fu
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  2. Jinhua Zhu
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  3. Yongqiang Xue
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Correspondence to Yongqiang Xue.

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Fu, Q., Zhu, J., Xue, Y. et al. Size- and shape-dependent melting enthalpy and entropy of nanoparticles. J Mater Sci 52, 1911–1918 (2017). https://doi.org/10.1007/s10853-016-0480-9

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