2023
DOI: 10.1088/1361-648x/ad15c5
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Significant thermal rectification induced by phonon mismatch of functional groups in a single-molecule junction

Renjie Hua,
Yunlei Jiang,
Lei Shi
et al.

Abstract: Single-molecule junctions (SMJs) may bring exotic physical effects. In this work, a significant thermal rectification effect is observed in a cross-dimensional system, comprising a diamond, a single-molecule junction, and a carbon nanotube (CNT). The molecular dynamics simulations indicate that the interfacial thermal resistance varies with the direction of heat flow, the orientation of the crystal planes of the diamond, and the length of the CNT. We find that the thermal rectification ratio escalates with the… Show more

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