Ultralow thermal conductivity in diamondoid lattices: high thermoelectric performance in chalcopyrite Cu0.8+yAg0.2In1–yTe2
Abstract
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 concentraton. 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. Here, this strong phonon coupling decreases the Debye temperature and induces a low sound velocity.
- Authors:
-
[1];
[1];
[2];
[1];
[1]
- Northwestern Univ., Evanston, IL (United States)
- Univ. of Michigan, Ann Arbor, MI (United States)
- Publication Date:
- Research Org.:
- Northwestern Univ., Evanston, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1778885
- Alternate Identifier(s):
- OSTI ID: 1777516
- Grant/Contract Number:
- SC0014520; AC02-06CH11357; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Energy & Environmental Science
- Additional Journal Information:
- Journal Volume: 13; Journal Issue: 10; Journal ID: ISSN 1754-5692
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Xie, Hongyao, Hao, Shiqiang, Cai, Songting, Bailey, Trevor P., Uher, Ctirad, Wolverton, Christopher, Dravid, Vinayak P., and Kanatzidis, Mercouri G. Ultralow thermal conductivity in diamondoid lattices: high thermoelectric performance in chalcopyrite Cu0.8+yAg0.2In1–yTe2. United States: N. p., 2020.
Web. doi:10.1039/d0ee02323j.
Xie, Hongyao, Hao, Shiqiang, Cai, Songting, Bailey, Trevor P., Uher, Ctirad, Wolverton, Christopher, Dravid, Vinayak P., & Kanatzidis, Mercouri G. Ultralow thermal conductivity in diamondoid lattices: high thermoelectric performance in chalcopyrite Cu0.8+yAg0.2In1–yTe2. United States. https://doi.org/10.1039/d0ee02323j
Xie, Hongyao, Hao, Shiqiang, Cai, Songting, Bailey, Trevor P., Uher, Ctirad, Wolverton, Christopher, Dravid, Vinayak P., and Kanatzidis, Mercouri G. Wed .
"Ultralow thermal conductivity in diamondoid lattices: high thermoelectric performance in chalcopyrite Cu0.8+yAg0.2In1–yTe2". United States. https://doi.org/10.1039/d0ee02323j. https://www.osti.gov/servlets/purl/1778885.
@article{osti_1778885,
title = {Ultralow thermal conductivity in diamondoid lattices: high thermoelectric performance in chalcopyrite Cu0.8+yAg0.2In1–yTe2},
author = {Xie, Hongyao and Hao, Shiqiang and Cai, Songting and Bailey, Trevor P. and Uher, Ctirad and Wolverton, Christopher and Dravid, Vinayak P. and Kanatzidis, Mercouri G.},
abstractNote = {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 concentraton. 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. Here, this strong phonon coupling decreases the Debye temperature and induces a low sound velocity.},
doi = {10.1039/d0ee02323j},
journal = {Energy & Environmental Science},
number = 10,
volume = 13,
place = {United States},
year = {Wed Sep 09 00:00:00 EDT 2020},
month = {Wed Sep 09 00:00:00 EDT 2020}
}
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