Analytical model based on cohesive energy to indicate the edge and corner effects on melting temperature of metallic nanoparticles

作者：Shidpour Reza; Delavari H Hamid; Vossoughi M^*

来源：Chemical Physics, 2010, 378(1-3): 14-18.

DOI：10.1016/j.chemphys.2010.09.007

• Melting temperature
• Nanoparticle
• Cohesive energy
• Edge and corner atoms
• Analytical model

An analytical model based on cohesive energy has been conducted to study the effects of edge, corner, and inward surface relaxation as varying parameters on melting temperature of nanoparticles. It is shown that taking into account the edge and corner (EC) atoms of nanoparticle, causes to drop melting temperature more, when compared to consider them the same as only surface atoms. This reduction is significant especially when the size of nanoparticle is below 10 nm. The results are supported by available experimental results of tin, lead and gold melting temperature (T-m). Finally, it is shown that inward relaxation increases melting temperature slightly.

• 出版日期2010-12-9