MoS2-graphene in-plane contact for high interfacial thermal conduction

Recent studies have indicated that two-dimensional （2D） MoS2 exhibits lowin-plane and inter-plane thermal conductivities. This poses a significant challengeto heat management in MoS2-based electronic devices. To address this challenge,we have designed MoS2-graphene interfaces that fully utilize grap...

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Bibliographic Details
Published in:Nano research 2017-09, Vol.10 (9), p.2944-2953
Main Authors: Liu, Xiangjun, Gao, Junfeng, Zhang, Gang, Zhang, Yong-Wei
Format: Article
Language:English
Subjects:
Atomic/Molecular Structure and Spectra
Biomedicine
Biotechnology
Bonding strength
Chemical bonds
Chemistry and Materials Science
Condensed Matter Physics
Conductance
Conduction
Conductivity
Covalent bonds
Electronic devices
Electronic equipment
Energy
Graphene
Graphical user interface
Heat conductivity
Heat transfer
Interface stability
Interfaces
interfacial
thermal
conductance
Materials Science
Molecular dynamics
Molybdenum disulfide
MoS2
Nanotechnology
Research Article
Resistance
Simulation
Structural stability
Thermal conductivity
thermal
management
Transistors
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Summary:Recent studies have indicated that two-dimensional （2D） MoS2 exhibits lowin-plane and inter-plane thermal conductivities. This poses a significant challengeto heat management in MoS2-based electronic devices. To address this challenge,we have designed MoS2-graphene interfaces that fully utilize graphene, a 2Dmaterial that exhibits very high thermal conductivity. First, we performed abinitio atomistic simulations to understand bonding and structural stability at theinterfaces. The interfaces that we designed, which were connected via strongcovalent bonds between Mo and C atoms, were energetically stable. We thenperformed molecular dynamics simulations to investigate interfacial thermalconductance in these materials. Surprisingly, the interfacial thermal conductancewas high and comparable to those of covalently bonded graphene-metalinterfaces. Importantly, each interfacial Mo-C bond served as an independentthermal channel, enabling modulation of the interfacial thermal conductanceby controlling the Mo vacancy concentration at the interface. The present workprovides a viable heat mana~：ement strate~：v for MoS2-based electronic devices.
ISSN:1998-0124
1998-0000
DOI:10.1007/s12274-017-1504-8