Robustly Engineering Thermal Conductivity of Bilayer Graphene by Interlayer Bonding

Scientific Reports
Xiaoliang ZhangMing Hu

Abstract

Graphene and its bilayer structure are the two-dimensional crystalline form of carbon, whose extraordinary electron mobility and other unique features hold great promise for nanoscale electronics and photonics. Their realistic applications in emerging nanoelectronics usually call for thermal transport manipulation in a controllable and precise manner. In this paper we systematically studied the effect of interlayer covalent bonding, in particular different interlay bonding arrangement, on the thermal conductivity of bilayer graphene using equilibrium molecular dynamics simulations. It is revealed that, the thermal conductivity of randomly bonded bilayer graphene decreases monotonically with the increase of interlayer bonding density, however, for the regularly bonded bilayer graphene structure the thermal conductivity possesses unexpectedly non-monotonic dependence on the interlayer bonding density. The results suggest that the thermal conductivity of bilayer graphene depends not only on the interlayer bonding density, but also on the detailed topological configuration of the interlayer bonding. The underlying mechanism for this abnormal phenomenon is identified by means of phonon spectral energy density, participation ratio an...Continue Reading

References

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Oct 21, 2015·The Journal of Physical Chemistry. a·Liu CuiXinxin Zhang

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Citations

Feb 3, 2018·Small·Guangzhao Qin, Ming Hu
Jun 27, 2019·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Jia Chen, Xiaobing Zhang

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Methods Mentioned

BETA
scanning

Software Mentioned

LAMMPS
PHONOPY

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