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    WS2 as an excellent high-temperature thermoelectric material

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    Type
    Article
    Authors
    Gandi, Appala
    Schwingenschlögl, Udo cc
    KAUST Department
    Computational Physics and Materials Science (CPMS)
    Material Science and Engineering Program
    Physical Science and Engineering (PSE) Division
    Date
    2014-11-13
    Online Publication Date
    2014-11-13
    Print Publication Date
    2014-11-25
    Permanent link to this record
    http://hdl.handle.net/10754/563867
    
    Metadata
    Show full item record
    Abstract
    The potential of WS2 as a thermoelectric material is assessed. The electronic contribution to the thermoelectric properties is calculated within the constant relaxation time approximation from the electronic band structure, whereas the lattice contribution is evaluated using self-consistently calculated phonon lifetimes. In addition, the dependence of the lattice thermal conductivity on the mean free path of the phonons is determined.
    Citation
    Gandi, A. N., & Schwingenschlögl, U. (2014). WS2As an Excellent High-Temperature Thermoelectric Material. Chemistry of Materials, 26(22), 6628–6637. doi:10.1021/cm503487n
    Sponsors
    Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST). Computational resources were provided by the Supercomputing Laboratory of KAUST.
    Publisher
    American Chemical Society (ACS)
    Journal
    Chemistry of Materials
    DOI
    10.1021/cm503487n
    ae974a485f413a2113503eed53cd6c53
    10.1021/cm503487n
    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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