TY - JOUR
T1 - Ultralow thermal conductivity in diamondoid lattices
T2 - High thermoelectric performance in chalcopyrite Cu0.8+: Y Ag0.2In1- y Te2
AU - Xie, Hongyao
AU - Hao, Shiqiang
AU - Cai, Songting
AU - Bailey, Trevor P.
AU - Uher, Ctirad
AU - Wolverton, Christopher
AU - Dravid, Vinayak P.
AU - Kanatzidis, Mercouri G.
N1 - Funding Information:
This work was primarily supported by a grant from the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences under Award Number DE-SC0014520; This work also made use of the EPIC facility of Northwestern University’s NUANCE Center, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (ECCS 2025633); the MRSEC program (NSF DMR-1720139) at the Materials Research Center; the International Institute for Nanotechnology (IIN); the Keck Foundation; and the State of Illinois, through the IIN. User Facilities are supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-06CH11357 and DE-AC02-05CH11231.
Publisher Copyright:
© The Royal Society of Chemistry.
PY - 2020/10
Y1 - 2020/10
N2 - Because of its unique transport properties, CuInTe2 has been considered as a promising p-type material for thermoelectric applications. However, its diamondoid structure gives it a high intrinsic lattice thermal conductivity that greatly limits its thermoelectric performance. In this study, we demonstrate that Ag alloying gives rise to an extremely low lattice thermal conductivity of 0.47 W m-1 K-1 for Cu0.8Ag0.2InTe2 at 850 K. Moreover, we found Cu doping significantly improves the carrier mobility while simultaneously increasing the carrier concentration. As a result, the power factor of Cu0.8Ag0.2InTe2 increases and a maximum ZT of ~1.6 is achieved at 850 K. Both DFT calculations and low temperature heat capacity measurements suggest a strong interaction between low frequency optical phonons and heat carrying acoustic phonons, which is derived from the weak Ag-Te bonding. This strong phonon coupling decreases the Debye temperature and induces a low sound velocity.
AB - Because of its unique transport properties, CuInTe2 has been considered as a promising p-type material for thermoelectric applications. However, its diamondoid structure gives it a high intrinsic lattice thermal conductivity that greatly limits its thermoelectric performance. In this study, we demonstrate that Ag alloying gives rise to an extremely low lattice thermal conductivity of 0.47 W m-1 K-1 for Cu0.8Ag0.2InTe2 at 850 K. Moreover, we found Cu doping significantly improves the carrier mobility while simultaneously increasing the carrier concentration. As a result, the power factor of Cu0.8Ag0.2InTe2 increases and a maximum ZT of ~1.6 is achieved at 850 K. Both DFT calculations and low temperature heat capacity measurements suggest a strong interaction between low frequency optical phonons and heat carrying acoustic phonons, which is derived from the weak Ag-Te bonding. This strong phonon coupling decreases the Debye temperature and induces a low sound velocity.
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U2 - 10.1039/d0ee02323j
DO - 10.1039/d0ee02323j
M3 - Article
AN - SCOPUS:85096316012
SN - 1754-5692
VL - 13
SP - 3693
EP - 3705
JO - Energy and Environmental Science
JF - Energy and Environmental Science
IS - 10
ER -
