Lateral and flexural phonon thermal transport in graphene and stanene bilayers
Y Hong and CQ Zhu and MG Ju and JC Zhang and XC Zeng, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 19, 6554-6562 (2017).
Stanene, a low thermal conductivity two-dimensional (2D) sheet composed of group-IV element Sn, is a prototype material with novel properties such as 2D topological insulating behavior and near-roomtemperature quantum Hall effects. Monolayer graphene, on the other hand, possesses unusual thermal properties, but has a zero bandgap. By stacking stanene and graphene monolayers vertically into a hetero-bilayer, an indirect bandgap can be obtained, making the hetero-bilayer a good candidate for special applications. In this work, the in-plane thermal conductivity (k) and out-of-plane interfacial thermal resistance (R) in the hetero- bilayer are systematically investigated using non-equilibrium molecular dynamics and transient pump-probe methods. Effects of dimension, system temperature and van der Waals coupling strength on the thermal properties are examined. The predicted in-plane thermal conductivity of the graphene/ stanene hetero-bilayer is 311.1 W m(-1) K-1, higher than most 2D materials such as phosphorene, hexagonal boron nitride (h-BN), MoS2 and MoSe2. Phonon power spectra are recorded for graphene and stanene individually to help the explanation of their k difference. The inter-layer thermal resistance between graphene and stanene hetero- bilayers is predicted to be 2.13 x 10(-7) K m(2) W-1, which is on the same order of magnitude as several other 2D bilayer structures.
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