Effects of Structure Defects on Thermal Transport at the Graphene–Water Interface

Abstract

The graphene microchannel heat sinks have attracted extensive attention due to its high cooling efficiency in microelectric devices. The interfacial thermal resistance (ITR) between graphene as the bottom layer of microchannel and water is one of the key factors of its good working performance. In this paper, the impacts of structure defects in graphene surfaces on ITR of the graphene–water interface are investigated using molecular dynamic simulations. The results indicate that graphene layer with different types of structure defects shows different variation trends of ITR as the defect concentration or temperature increases. A peak ITR reduction of nearly 30% is generated with the Stone‐Wales defect of 2%. Finally, the density of phonon states and interfacial binding energy analysis are performed to verify the correctness of the simulation results. The present work expands the understanding of structure defects effect on thermal transport in graphene microchannel.

Thermal Transport across Liquid–Solid Interface with a Single-Atomic Structure Based on the Radial Density Depletion Length at a Surface Solid Atom

“…20,21 As a specific material, graphene has been investigated using the model of graphene−water interface with defects, and the graphene with different types of defects has been observed to effect the TBR. 22 For recent nano devices, understanding the interfacial thermal transport with single-atomic precision is crucial for further advancement.…”

“…In addition, focusing on the vibrational properties of liquid–solid interfaces to understand the thermal transport mechanism, a previous study has shown that the structure of an adatom is the most effective for enhancing relatively low-frequency modes of the interface which dominate the thermal transport through the solid–liquid interface. Such a role of the single-atomic structures is essentially important for modulating vibrational properties at the surfaces. , As a specific material, graphene has been investigated using the model of graphene–water interface with defects, and the graphene with different types of defects has been observed to effect the TBR . For recent nano devices, understanding the interfacial thermal transport with single-atomic precision is crucial for further advancement.…”