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Interfacial Thermal Conductance across $Graphene/MoS_{2 }$van der Waals Heterostructures
| Content Provider | MDPI |
|---|---|
| Author | Wu, Shuang Wang, Jifen Xie, Huaqing Guo, Zhixiong |
| Copyright Year | 2020 |
| Description | The thermal conductivity and interface thermal conductance of graphene stacked MoS2 (graphene/MoS2) van der Waals heterostructure were studied by the first principles and molecular dynamics (MD) simulations. Firstly, two different heterostructures were established and optimized by VASP. Subsequently, we obtained the thermal conductivity (K) and interfacial thermal conductance (G) via MD simulations. The predicted Κ of monolayer graphene and monolayer MoS2 reached 1458.7 W/m K and 55.27 W/m K, respectively. The thermal conductance across the graphene/MoS2 interface was calculated to be 8.95 MW/m2 K at 300 K. The G increases with temperature and the interface coupling strength. Finally, the phonon spectra and phonon density of state were obtained to analyze the changing mechanism of thermal conductivity and thermal conductance. |
| Starting Page | 5851 |
| e-ISSN | 19961073 |
| DOI | 10.3390/en13215851 |
| Journal | Energies |
| Issue Number | 21 |
| Volume Number | 13 |
| Language | English |
| Publisher | MDPI |
| Publisher Date | 2020-11-09 |
| Access Restriction | Open |
| Subject Keyword | Energies Metallurgy and Metallurgical Engineering Condensed Matter Physics Graphene/mos2 Thermal Conductivity Interfacial Thermal Conductance First-principle Molecular Dynamics |
| Content Type | Text |
| Resource Type | Article |
