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    Thermal response in van der Waals heterostructures

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    Type
    Article
    Authors
    Gandi, Appala
    Alshareef, Husam N. cc
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Functional Nanomaterials and Devices Research Group
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2016-11-21
    Online Publication Date
    2016-11-21
    Print Publication Date
    2017-01-25
    Permanent link to this record
    http://hdl.handle.net/10754/622485
    
    Metadata
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    Abstract
    We solve numerically the Boltzmann transport equations of the phonons and electrons to understand the thermoelectric response in heterostructures of M2CO2 (M: Ti, Zr, Hf) MXenes with transition metal dichalcogenide monolayers. Low frequency optical phonons are found to occur as a consequence of the van der Waals bonding, contribute significantly to the thermal transport, and compensate for the reduced contributions of the acoustic phonons (increased scattering cross-sections in heterostructures), such that the thermal conductivities turn out to be similar to those of the bare MXenes. Our results indicate that the important superlattice design approach of thermoelectrics (to reduce the thermal conductivity) may be effective for two-dimensional van der Waals materials when used in conjunction with intercalation. © 2016 IOP Publishing Ltd.
    Citation
    Gandi AN, Alshareef HN, Schwingenschlögl U (2016) Thermal response in van der Waals heterostructures. Journal of Physics: Condensed Matter 29: 035504. Available: http://dx.doi.org/10.1088/1361-648X/29/3/035504.
    Sponsors
    The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). Computational resources were provided by the Supercomputing Laboratory of KAUST.
    Publisher
    IOP Publishing
    Journal
    Journal of Physics: Condensed Matter
    DOI
    10.1088/1361-648X/29/3/035504
    Additional Links
    http://iopscience.iop.org/article/10.1088/1361-648X/29/3/035504/meta;jsessionid=CE461FBB9D85DA3CDC27A9A2B3A0F519.c2.iopscience.cld.iop.org
    ae974a485f413a2113503eed53cd6c53
    10.1088/1361-648X/29/3/035504
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Material Science and Engineering Program; Computational Physics and Materials Science (CPMS)

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