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

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.

Hexagonal Planar CdS Monolayer Sheet for Visible Light Photocatalysis

“…These values are very much comparable with previous sulfide-based materials such as g-ZnS. In the case of g-ZnS, it can sustain up to 0.16, 0.22, and 0.19 strain in the armchair, zigzag, and biaxial directions. , Cadmium sulfide nanowire can sustain up to 0.08 strain with a maximum stress of 4 GPa …”

“…69,70 Cadmium sulfide nanowire can sustain up to 0.08 strain with a maximum stress of 4 GPa. 71 After investigating the stress−strain relationship (Figure 5a) along the uniaxial direction, we have decided to see the effect of uniaxial strains on the structural and electronic properties of CdS. In Table 1, we have summarized the effect of uniaxial strain (±5%, ±10%, ±15%, and ±20%) on the planar CdS sheet.…”

Low‐temperature properties of a magnetic nanowire

“…Nanowire as a kind of one‐dimensional material has a much higher surface‐to‐volume ratio than the bulk material, so they have many special properties, especially in their magnetic , electronic , mechanical, and thermal properties. Core–shell nanowire is a kind of functionalized nanowire that is based on a pure nanowire added by a different material as a shell.…”

Tunable Mechanics and Micromechanism in Close-Knit Silicide-in-SiO2 Core-Shell Nanowires

“…Rational incorporation of these features in a single nanowire may thereby bring about custom-made mechanical properties. Core−shell nanowires have proved to be viable for tuning mechanical performance like elastic behavior, 22 Young moduli, 23 stiffness, 24 and so on. Construction of high-quality core−shell nanowires with tunable mechanics is a critical task.…”