Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 13, Issue 22, Pages 10648-10651Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c0cp02102d
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Funding
- Program for New Century Excellent Talents in University [NCET-08-0574]
- Yuyin Program for Young Talents of Central South University
- China Postdoctoral Science Foundation [200801344]
- Hunan Provincial Natural Science Foundation of China [09JJ3106]
- Aid Program for Science and Technology Innovative Research Team in Higher Educational Institutions of Hunan Province
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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.
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