In-Plane Thermal Conductivity of Misoriented Bilayer Graphene
ORAL
Abstract
Misorientation of two layers of bilayer graphene leaves distinct signatures in the electronic properties and the phonon modes. The effect on the thermal conductivity has received the least attention and is the least well understood. In this work, the in-plane thermal conductivity of misoriented bilayer graphene is simulated as a function of temperature and interlayer rotation angle using both density functional theory (DFT) and nonequilibrium molecular dynamics (NEMD). Both calculations give the same qualitative dependencies of the thermal conductivity on the rotation angle. Misorientation reduces the in-plane thermal conductivity at room temperature. As the temperature increases, the in-plane thermal conductivity difference between AB-BLG and misoriented bilayer graphene (m-BLG) becomes less significant. The trends are consistent with the existing experimental data.1
1.Li, Hongyang, Hao Ying, Xiangping Chen, Denis L. Nika, Alexandr I. Cocemasov, Weiwei Cai, Alexander A. Balandin, and Shanshan Chen. "Thermal conductivity of twisted bilayer graphene."Nanoscale 6, no. 22 (2014): 13402-13408.
1.Li, Hongyang, Hao Ying, Xiangping Chen, Denis L. Nika, Alexandr I. Cocemasov, Weiwei Cai, Alexander A. Balandin, and Shanshan Chen. "Thermal conductivity of twisted bilayer graphene."Nanoscale 6, no. 22 (2014): 13402-13408.
*This work was supported as part by the NSF #1307671 ans the TG-DMR130081.
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Presenters
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Chenyang Li
- Department of Electrical and Computer Engineering, Univ of California - Riverside