Issue 22, 2011
From the journal:

Physical Chemistry Chemical Physics

Modeling size effects on the surface free energy of metallic nanoparticles and nanocavities

Shiyun Xiong,a   Weihong Qi,*ab   Yajuan Cheng,a   Baiyun Huang,c   Mingpu Wangab  and  Yejun Lia  

* Corresponding authors

a School of Materials Science and Engineering, Central South University, Changsha, P. R. China
E-mail: qiwh216@mail.csu.edu.cn
Tel: +86 152-7491-1370

b Key Laboratory of Non-Ferrous Materials Science and Engineering, Ministry of Education, Changsha, P. R. China

c State Key Laboratory of Powder Metallurgy, Central South University, Changsha, P. R. China

Abstract

Based on the rigorous consideration of the bond broken rule and surface relaxation, a model for the size-dependent surface free energy of face-centered-cubic nanoparticles and nanocavities is presented, where the surface relaxation is calculated by the BOLS relationship. It is found that the surface free energy of nanoparticles and nanocavities represents a reverse size effect—the surface free energy of nanoparticles decreases with the decrease of particle size while it rises with the shrinkage of cavities. The size effect on the surface free energy of nanoparticles and nanocavities is not evident in large size ranges, while it becomes more and more distinct with decreasing size, especially for sizes smaller than 10 nm. The present predictions are in good agreement with the available literature data.

Graphical abstract: Modeling size effects on the surface free energy of metallic nanoparticles and nanocavities

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Article information

DOI
https://doi.org/10.1039/C0CP02102D
Article type
Paper
Submitted
10 Oct 2010
Accepted
25 Feb 2011
First published
06 Apr 2011

Phys. Chem. Chem. Phys., 2011,13, 10648-10651

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Modeling size effects on the surface free energy of metallic nanoparticles and nanocavities

S. Xiong, W. Qi, Y. Cheng, B. Huang, M. Wang and Y. Li, Phys. Chem. Chem. Phys., 2011, 13, 10648 DOI: 10.1039/C0CP02102D

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