TY - JOUR
T1 - Thermoelectric performance of functionalized Sc2C MXenes
AU - Kumar, S.
AU - Schwingenschlögl, Udo
N1 - KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: The research reported in this publication was supported
by funding from King Abdullah University of Science and
Technology (KAUST).
PY - 2016/7/5
Y1 - 2016/7/5
N2 - 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.
AB - 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.
UR - http://hdl.handle.net/10754/617079
UR - http://link.aps.org/doi/10.1103/PhysRevB.94.035405
UR - http://www.scopus.com/inward/record.url?scp=84978388136&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.94.035405
DO - 10.1103/PhysRevB.94.035405
M3 - Article
SN - 2469-9950
VL - 94
JO - Physical Review B
JF - Physical Review B
IS - 3
ER -