title: Lateral and flexural phonon thermal transport in graphene and stanene bilayers.
abstract: 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-room-temperature 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 (κ) 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-1K-1, higher than most 2D materials such as phosphorene, hexagonal boron nitride (h-BN), MoS2and MoSe2. Phonon power spectra are recorded for graphene and stanene individually to help the explanation of their κ difference. The inter-layer thermal resistance between graphene and stanene hetero-bilayers is predicted to be 2.13 × 10-7K m2W-1, which is on the same order of magnitude as several other 2D bilayer structures.
authors.affiliation: Department of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588, USA. xzeng1@unl.edu.
authors.forename: Yang
authors.identifier: http://orcid.org/0000-0001-6910-9598
authors.initials: Y
authors.lastname: Hong
authors.affiliation: Department of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588, USA. xzeng1@unl.edu.
authors.forename: Chongqin
authors.initials: C
authors.lastname: Zhu
authors.affiliation: Department of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588, USA. xzeng1@unl.edu.
authors.forename: Minggang
authors.initials: M
authors.lastname: Ju
authors.affiliation: Holland Computing Center, University of Nebraska-Lincoln, Lincoln, NE 68588, USA. zhang@unl.edu.
authors.forename: Jingchao
authors.initials: J
authors.lastname: Zhang
authors.affiliation: Department of Chemistry, University of Nebraska-Lincoln, Lincoln, NE 68588, USA. xzeng1@unl.edu.
authors.forename: Xiao Cheng
authors.initials: XC
authors.lastname: Zeng