Study on thermal properties of triangular graphene with different boundary types

B Yang and YQ Yang and L Li and P Yang, MICRO AND NANOSTRUCTURES, 166, 207213 (2022).

DOI: 10.1016/j.micrna.2022.207213

The effect of different boundary types and presence or absence of boundary on the thermal properties of asymmetric triangular graphene nanoribbons (ATGNRs) are investigated by using non-equilibrium molecular dynamics methods (NEMD). The calculated results show that the thermal conductivity is the highest when the temperature is close to the Debye temperature. At the same time, when the heat flow flows from the narrow end to the wide end (JNW), it is found that the thermal conductivity is less sensitive to temperature than that when the heat flow flows from the wide end to the narrow end (JWN), and the thermal conductivity difference between ATGNRs with armchair hypotenuse (model A) and ATGNRs with zigzag hypotenuse (model Z) is smaller under the same temperature. Finally, we investigate the thermal rectification of model A and Z, and find that the thermal rectification of model Z is significantly larger than the thermal rectification of model A. The analysis of phonon matching explains it. We hope that our work could facilitate the thermal design of graphene-based electronic devices in nanoscale thermal engineering.

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