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    Thermoelectric performance of functionalized Sc2C MXenes

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    PhysRevB.94.035405.pdf
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    Type
    Article
    Authors
    Kumar, S.
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2016-07-05
    Permanent link to this record
    http://hdl.handle.net/10754/617079
    
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    Abstract
    Functionalization of the MXene Sc2C, which has the rare property to realize semiconducting states for various functionalizations including O, F, and OH, is studied with respect to the electronic and thermal behavior. The lowest lattice thermal conductivity is obtained for OH functionalization and an additional 30% decrease can be achieved by confining the phonon mean free path to 100 nm. Despite a relatively low Seebeck coefficient, Sc2C(OH)2 is a candidate for intermediate-temperature thermoelectric applications due to compensation by a high electrical conductivity and very low lattice thermal conductivity.
    Citation
    Thermoelectric performance of functionalized Sc 2 C MXenes 2016, 94 (3) Physical Review B
    Sponsors
    The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).
    Publisher
    American Physical Society (APS)
    Journal
    Physical Review B
    DOI
    10.1103/PhysRevB.94.035405
    Additional Links
    http://link.aps.org/doi/10.1103/PhysRevB.94.035405
    ae974a485f413a2113503eed53cd6c53
    10.1103/PhysRevB.94.035405
    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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