TY - JOUR
T1 - Thermal response in van der Waals heterostructures
AU - Gandi, Appala
AU - Alshareef, Husam N.
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). Computational resources were provided by the Supercomputing Laboratory of KAUST.
PY - 2016/11/21
Y1 - 2016/11/21
N2 - We solve numerically the Boltzmann transport equations of the phonons and electrons to understand the thermoelectric response in heterostructures of M2CO2 (M: Ti, Zr, Hf) MXenes with transition metal dichalcogenide monolayers. Low frequency optical phonons are found to occur as a consequence of the van der Waals bonding, contribute significantly to the thermal transport, and compensate for the reduced contributions of the acoustic phonons (increased scattering cross-sections in heterostructures), such that the thermal conductivities turn out to be similar to those of the bare MXenes. Our results indicate that the important superlattice design approach of thermoelectrics (to reduce the thermal conductivity) may be effective for two-dimensional van der Waals materials when used in conjunction with intercalation. © 2016 IOP Publishing Ltd.
AB - We solve numerically the Boltzmann transport equations of the phonons and electrons to understand the thermoelectric response in heterostructures of M2CO2 (M: Ti, Zr, Hf) MXenes with transition metal dichalcogenide monolayers. Low frequency optical phonons are found to occur as a consequence of the van der Waals bonding, contribute significantly to the thermal transport, and compensate for the reduced contributions of the acoustic phonons (increased scattering cross-sections in heterostructures), such that the thermal conductivities turn out to be similar to those of the bare MXenes. Our results indicate that the important superlattice design approach of thermoelectrics (to reduce the thermal conductivity) may be effective for two-dimensional van der Waals materials when used in conjunction with intercalation. © 2016 IOP Publishing Ltd.
UR - http://hdl.handle.net/10754/622485
UR - http://iopscience.iop.org/article/10.1088/1361-648X/29/3/035504/meta;jsessionid=CE461FBB9D85DA3CDC27A9A2B3A0F519.c2.iopscience.cld.iop.org
UR - http://www.scopus.com/inward/record.url?scp=85000766784&partnerID=8YFLogxK
U2 - 10.1088/1361-648X/29/3/035504
DO - 10.1088/1361-648X/29/3/035504
M3 - Article
C2 - 27869639
SN - 0953-8984
VL - 29
SP - 035504
JO - Journal of Physics: Condensed Matter
JF - Journal of Physics: Condensed Matter
IS - 3
ER -