201. Van der Waals heterojunctions comprising double/single-walled carbon nanotubes: Insights into heat flux and thermal rectification.
- Author
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Wu, Ning, Liu, Yingguang, Xing, Zhibo, and Wang, Shuo
- Subjects
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DOUBLE walled carbon nanotubes , *HEAT flux , *CARBON nanotubes , *HETEROJUNCTIONS , *MOLECULAR dynamics , *HIGH temperatures - Abstract
• Asymmetric vdWs structure based on CNT was established and it was studied by NEMD. • Temperature can easily break through the vdWs interaction at small layer spacing. • Large layer spacing hinders temperature-induced disruption of vdWs interactions. • Medium layer spacing maximizes TR ratio (757 %) at a specific temperature. • Changing the chiral combination makes the peak of TR move to the normal temperature. Van der Waals (vdWs) heterojunctions constructed from double/single-walled carbon nanotubes (DSCNTs) demonstrate exceptional thermal rectification (TR) ratios, coupled with a straightforward fabrication process, making them highly suitable for thermal rectifier applications. In this study, we employed a Nonequilibrium Molecular Dynamics method to investigate the heat flux and TR across DSCNTs with varying interlayer spacings. Our findings reveal that at smaller interlayer spacings, high temperatures readily overcome vdWs interactions. Conversely, increasing the interlayer spacing initially impedes this effect, though elevated temperatures can surmount this barrier. Significantly, at specific combinations of temperature and interlayer spacing, the left side in DSCNTs establishes interlayer phonons transport channels, facilitating forward heat flux but impeding the backward. This mechanism results in an exceptionally high TR ratio, reaching up to 757 %. Additionally, altering the chiral configurations of the CNTs in the inner and outer layers, while preserving interlayer spacing, further enhances the TR ratio and reduces the temperature threshold required to achieve peak TR ratio. Our findings contribute valuable insights into the phonon transport mechanisms within one-dimensional vdWs heterojunctions. [Display omitted] [ABSTRACT FROM AUTHOR]
- Published
- 2024
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