Type
ArticleAuthors
Kumar, S.Schwingenschlögl, Udo

KAUST Department
Computational Physics and Materials Science (CPMS)Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Date
2016-07-05Permanent link to this record
http://hdl.handle.net/10754/617079
Metadata
Show full item recordAbstract
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 BSponsors
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 BAdditional Links
http://link.aps.org/doi/10.1103/PhysRevB.94.035405ae974a485f413a2113503eed53cd6c53
10.1103/PhysRevB.94.035405