Type
ArticleKAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2014-11-13Online Publication Date
2014-11-13Print Publication Date
2014-11-25Permanent link to this record
http://hdl.handle.net/10754/563867
Metadata
Show full item recordAbstract
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/cm503487nSponsors
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 Materialsae974a485f413a2113503eed53cd6c53
10.1021/cm503487n