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arXiv · 1503.04417

Tunable mechanical and thermal properties of ZnS/CdS core/shell nanowires

Taraknath Mandal·Chandan Dasgupta·Prabal K. Maiti
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Abstract

Using all atom molecular dynamics (MD) simulations, we have studied the mechanical properties of ZnS/CdS core/shell nanowires. Our results show that the coating of a few atomic layer CdS shell on the ZnS nanowire leads to a significant change in the stiffness of the core/shell nanowires compared to the stiffness of pure ZnS nanowires. The binding energy between the core and shell region decreases due to the lattice mismatch at the core-shell interface. This reduction in binding energy plays an important role in determining the stiffness of a core/shell nanowire. We have also investigated the effects of the shell on the thermal conductivity and melting behavior of the nanowires.

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Taraknath Mandal, Chandan Dasgupta, Prabal K. Maiti. 2015-03-15. Tunable mechanical and thermal properties of ZnS/CdS core/shell nanowires. https://doi.org/10.1103/physrevb.91.104107

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