Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5408090 | Journal of Molecular Liquids | 2017 | 30 Pages |
Abstract
MD simulations were used for investigation on the kinetic formation of Ni-Pd nanoalloys at different simulation times. We have examined excess energies and bond order parameters for initial gas phase compositions including pure Ni, and Pd, and also Ni0.2Pd0.8, Ni0.4Pd0.6, Ni0.6Pd0.4, Ni0.8Pd0.2 concentrations. Excess energies for created Ni-Pd nanoalloys exhibit more instabilities for larger nanoparticles. Also, bond order results demonstrate amorphous structures for all of created nanoclusters. Moreover, number of formed clusters for pure Ni at 5Â ns is more than pure Pd nanoclusters and number of formed clusters decreases when Pd is doped in pure Ni nanocluster.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Hamed Akbarzadeh, Farid Taherkhani, Esmat Mehrjouei, Azizeh Masoumi,