Interfacial thermal resistance modulation in low-dimensional graphene/boron nitride Heterostructures for energy harvesting applications

IF 5.9 3区材料科学 Q2 CHEMISTRY, PHYSICAL

FlatChem Pub Date : 2025-03-09 DOI:10.1016/j.flatc.2025.100846

Muhammad Ejaz Khan , Muhammad Aamir , Chen Ming , Yi-Yang Sun , Yong-Hyun Kim

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引用次数: 0

Abstract

Controlling heat flow across hybrid material interfaces is a critical challenge for enhancing performance of nanoscale devices. This study achieves an ultra-high interfacial thermal resistance modulation in graphene/boron nitride (G/BN) heterostructures by investigating interfacial chirality and quantum confinement effects. Through density functional theory (DFT) calculations and a non-equilibrium Green's function (NEGF) approach, we analyze heat transport across zigzag and armchair heterojunctions of G and BN in one-dimensional (1D) nanoribbons and two-dimensional (2D) nanosheets. Our results show a remarkable 540 % modulation of interfacial thermal resistance in 1D interfaces at room temperature, driven by phonon transmission gaps in the acoustic region that significantly reduce thermal conduction. In 2D G/BN heterointerfaces, we observe a thermal resistance modulation exceeding 270 %, attributed to structural strain and limited atomic vibrations near interfaces, causing increased scattering and reduced phonon transmission. This study highlights mechanisms underlying heat transport in low-dimensional G/BN heterostructures and demonstrates their significant potential for advanced thermal management in nanoscale electronic and energy harvesting devices.

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来源期刊

FlatChem Multiple-

CiteScore

8.40

自引率

6.50%

发文量

104

审稿时长

26 days

期刊介绍： FlatChem - Chemistry of Flat Materials, a new voice in the community, publishes original and significant, cutting-edge research related to the chemistry of graphene and related 2D & layered materials. The overall aim of the journal is to combine the chemistry and applications of these materials, where the submission of communications, full papers, and concepts should contain chemistry in a materials context, which can be both experimental and/or theoretical. In addition to original research articles, FlatChem also offers reviews, minireviews, highlights and perspectives on the future of this research area with the scientific leaders in fields related to Flat Materials. Topics of interest include, but are not limited to, the following: -Design, synthesis, applications and investigation of graphene, graphene related materials and other 2D & layered materials (for example Silicene, Germanene, Phosphorene, MXenes, Boron nitride, Transition metal dichalcogenides) -Characterization of these materials using all forms of spectroscopy and microscopy techniques -Chemical modification or functionalization and dispersion of these materials, as well as interactions with other materials -Exploring the surface chemistry of these materials for applications in: Sensors or detectors in electrochemical/Lab on a Chip devices, Composite materials, Membranes, Environment technology, Catalysis for energy storage and conversion (for example fuel cells, supercapacitors, batteries, hydrogen storage), Biomedical technology (drug delivery, biosensing, bioimaging)