Generalized Surface-Area-Difference model for cohesive energy of nanoparticles with different compositions
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The Surface-Area-Difference (SAD) model has been generalized to account for the cohesive energy of nanoparticles with different compositions (NDC) in different shape, where the particle shape is described by the shape factor. It is found that the cohesive energy of NDC depends on the particle size, the particle shape and the atomic percent of each composition, which can be simply regarded as mathematical mean values of the cohesive energies of all the compositions.
KeywordsSurface Energy Shape Factor Particle Shape Atomic Percent Cohesive Energy
This work was supported by National Natural Science Foundation of China (No. 50401010) and Talent Foundation of Jiangsu University (No. 05JDG010).