科研之友
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摘要
The size-dependent formation enthalpies of Sn and SnTe nanoclusters are investigated using a nanothermodynamic model based on the liquid-droplet model (LDM) and the modified broken-bond theory. The bulk cohesive energy of SnTe used in the modeling was verified by ab initio density functional theory. The results show that the formation enthalpy increases with decreasing cluster size, which is in good agreement with the experimental data. With considering the size-independent surface energy and surface/volume ratio, the developed model possesses a better applicability than LDM and may provide new insight into the fundamental understanding of the thermal stability of nanoclusters.
- 出版日期2009-7-15
