Exceptional in-plane and interfacial thermal transport in graphene/2D-SiC van der Waals heterostructures

Abstract

Graphene based van der Waals heterostructures (vdWHs) have gained substantial interest recently due to their unique electrical and optical characteristics as well as unprecedented opportunities to explore new physics and revolutionary design of nanodevices. However, the heat conduction performance of these vdWHs holds a crucial role in deciding their functional efficiency. In-plane and out-of-plane thermal conduction phenomena in graphene/2D-SiC vdWHs were studied using reverse non-equilibrium molecular dynamics simulations and the transient pump-probe technique, respectively. At room temperature, we determined an in-plane thermal conductivity of ~ 1452 W/m-K for an infinite length graphene/2D-SiC vdWH, which is superior to any graphene based vdWHs reported yet. The out-of-plane thermal resistance of graphene → 2D-SiC and 2D-SiC → graphene was estimated to be 2.71 × 10−7 km2/W and 2.65 × 10−7 km2/W, respectively, implying the absence of the thermal rectification effect in the heterobilayer. The phonon-mediated both in-plane and out-of-plane heat transfer is clarified for this prospective heterobilayer. This study furthermore explored the impact of various interatomic potentials on the thermal conductivity of the heterobilayer. These findings are useful in explaining the heat conduction at the interfaces in graphene/2D-SiC vdWH and may provide a guideline for efficient design and regulation of their thermal characteristics.

Temperature and interlayer coupling induced thermal transport across graphene/2D-SiC van der Waals heterostructure

“…The temperature evolution of graphene ( T G ) and 2D-SiC ( T 2D-SiC ) was tracked throughout the entire thermal equilibrium procedure. At each step, the total energy of graphene ( E t ) was also collected in order to calculate the R according to 2 where A R is the graphene/2D-SiC contact area. To reduce data noise, the data points acquired at each time step were averaged after every 100 time steps.…”

“…In this regard, numerous vdWHs have been proposed using graphene and related 2D materials with superior electronic properties, exceptional thermal characteristics, unique mechanical properties as well as other physical properties. In particular, the graphene/2D-SiC vdWH has recently been explored with exotic thermal behavior and unique electronic properties being reported 2 , 28 . In our earlier study, we also reported that graphene/2D-SiC 2 shows exceptional thermal transport across the interface to mitigate the heat dissipation problem in next generation nanoelectronic devices.…”

“…In particular, the graphene/2D-SiC vdWH has recently been explored with exotic thermal behavior and unique electronic properties being reported 2 , 28 . In our earlier study, we also reported that graphene/2D-SiC 2 shows exceptional thermal transport across the interface to mitigate the heat dissipation problem in next generation nanoelectronic devices. However, thermal transport at the nanoscale shows diverse temperature dependent behaviors 34 – 36 .…”

Tensile Mechanical Behavior and the Fracture Mechanism in Monolayer Group-III Nitrides XN (X= Ga, In): Effect of Temperature and Point Vacancies

“… 1 , 2 Due to the rapid shrinking trend of nanoscale devices, structural failure problems have increased considerably and must be solved urgently to realize reliable and efficient NEMS. 3 Since the exfoliation of graphene, 4 , 5 the very first two-dimensional (2D) materials with a honeycomb structure, a new milestone has been achieved to solve the failure problems of NEMS by using the extraordinary mechanical strength of graphene. 6 , 7 However, the zero electronic band gap of graphene 5 is a major limitation in all of these prospects and triggered the scientists to invent other monolayer systems with comparable behavior like graphene.…”

Strong tribo-piezoelectric effect in bilayer indium nitride (InN)

“…To develop nanoscale energy harvesting devices, two-dimensional (2D) materials 26 – 30 are fascinating and promising due to their extraordinary features such as high electron mobility, large quantum spin hall effects, high carrier mobility, and very low thickness. In particular, transition metal dichalcogenides 31 and Janus monolayer material WS-X (X = Se and Te) 32 can demonstrate vertical and in-plane piezoelectrical properties.…”