title: Robustly Engineering Thermal Conductivity of Bilayer Graphene by Interlayer Bonding.
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 and mode weight factor analysis. The large tunability of thermal conductivity of bilayer graphene through rational interlayer bonding arrangement paves the way to achieve other desired properties for potential nanoelectronics applications involving graphene layers.
authors.affiliation: Institute of Mineral Engineering, Division of Materials Science and Engineering, Faculty of Georesources and Materials Engineering, RWTH Aachen University, 52064 Aachen, Germany.
authors.forename: Xiaoliang
authors.initials: X
authors.lastname: Zhang
authors.affiliation: School of Architecture &Civil Engineering, Shenyang University of Technology, Shenyang 110870, China.
authors.forename: Yufei
authors.initials: Y
authors.lastname: Gao
authors.affiliation: Institute of Solid Mechanics, Beihang University (BUAA), Beijing 100191, China.
authors.forename: Yuli
authors.initials: Y
authors.lastname: Chen
authors.affiliation: Institute of Mineral Engineering, Division of Materials Science and Engineering, Faculty of Georesources and Materials Engineering, RWTH Aachen University, 52064 Aachen, Germany.|Aachen Institute for Advanced Study in Computational Engineering Science (AICES), RWTH Aachen University, 52062 Aachen, Germany.
authors.forename: Ming
authors.initials: M
authors.lastname: Hu