KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2014-11-13
Print Publication Date2014-11-25
Permanent link to this recordhttp://hdl.handle.net/10754/563867
MetadataShow full item record
AbstractThe 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.
CitationGandi, A. N., & Schwingenschlögl, U. (2014). WS2As an Excellent High-Temperature Thermoelectric Material. Chemistry of Materials, 26(22), 6628–6637. doi:10.1021/cm503487n
SponsorsResearch 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.
PublisherAmerican Chemical Society (ACS)
JournalChemistry of Materials