Release Time:2019-03-11  Hits:

Indexed by: Journal Article

Date of Publication: 2017-10-01

Journal: CHEMICAL PHYSICS LETTERS

Included Journals: EI、SCIE

Volume: 685

Page Number: 349-353

ISSN: 0009-2614

Key Words: Graphene; Silicon dioxide; Thermal boundary resistance; Grain boundaries; Molecular dynamics

Abstract: The interface between graphene and substrate plays a very important role in graphene-based advanced devices. We examine the thermal boundary resistance R of the graphene/silicon dioxide (Gr/SiO2) interface by using molecular dynamics simulations. R decreases monotonically with the increase of temperature and exhibits a strong dependence on the substrate coupling strength. Due to the polycrystalline nature of graphene, we show that the presence of periodic 5-7, 5-8-5 and 5-7-5-7 grain boundaries in graphene enhances phonon transmission across the Gr/SiO2 interface, which are attributed to both the increased overlap in the phonon spectra and more inelastic scattering at the interface. (C) 2017 Elsevier B.V. All rights reserved.