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

Mandal, Taraknath and Dasgupta, Chandan and Maiti, Prabal K (2015) Tunable mechanical and thermal properties of ZnS/CdS core/shell nanowires. In: PHYSICAL REVIEW B, 91 (10). (In Press)

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Official URL: http://dx.doi.org/10.1103/PhysRevB.91.104107

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.

Item Type: Journal Article
Additional Information: Copy right for this article belongs to the AMER PHYSICAL SOC, ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
Keywords: CORE-SHELL NANOPARTICLES; OPTICAL-PROPERTIES; ATOMISTIC SIMULATIONS; QUANTUM DOTS; SOLAR-CELLS; BAND-GAP; ELECTRONIC-STRUCTURE; SHAPE EVOLUTION; THIN-FILMS; SIZE
Department/Centre: Division of Physical & Mathematical Sciences > Physics
Depositing User: Id for Latest eprints
Date Deposited: 24 Apr 2015 05:36
Last Modified: 24 Apr 2015 05:36
URI: http://eprints.iisc.ac.in/id/eprint/51370

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