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Title: Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe

Abstract

We report several synergistic effects in Hg alloying of SnTe to enhance the power factor and overall figure of merit ZT. Hg alloying decreases the energy separation between the two valence bands, leading to pronounced band convergence that improves the Seebeck coefficient. Hg alloying of SnTe also significantly enlarges the band gap thereby effectively suppressing the bipolar diffusion. Collectively, this results in high ZT of similar to 1.35 at 910 K for 2% Bi-doped SnTe with 3% HgTe. The solubility limit of Hg in SnTe is less than 3 mol%, and above this level we observe HgTe precipitates in the SnTe matrix, typically trapped at grain boundary triple junctions. The strong point defect scattering of phonons caused by Hg alloying coupled with mesoscale scattering via grain boundaries contributes to a great reduction of lattice thermal conductivity. The multiple synergistic roles that Hg plays in regulating the electron and phonon transport in SnTe provide important new insights into continued optimization of SnTe-based and related materials.

Authors:
; ; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Revolutionary Materials for Solid State Energy Conversion (RMSSEC); Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science - Office of Basic Energy Sciences - Materials Sciences and Engineering Division
OSTI Identifier:
1392329
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Energy & Environmental Science
Additional Journal Information:
Journal Volume: 8; Journal Issue: 1; Journal ID: ISSN 1754-5692
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English

Citation Formats

Tan, Gangjian, Shi, Fengyuan, Doak, Jeff W., Sun, Hui, Zhao, Li-Dong, Wang, Pengli, Uher, Ctirad, Wolverton, Chris, Dravid, Vinayak P., and Kanatzidis, Mercouri G. Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe. United States: N. p., 2015. Web. doi:10.1039/c4ee01463d.
Tan, Gangjian, Shi, Fengyuan, Doak, Jeff W., Sun, Hui, Zhao, Li-Dong, Wang, Pengli, Uher, Ctirad, Wolverton, Chris, Dravid, Vinayak P., & Kanatzidis, Mercouri G. Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe. United States. doi:10.1039/c4ee01463d.
Tan, Gangjian, Shi, Fengyuan, Doak, Jeff W., Sun, Hui, Zhao, Li-Dong, Wang, Pengli, Uher, Ctirad, Wolverton, Chris, Dravid, Vinayak P., and Kanatzidis, Mercouri G. Thu . "Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe". United States. doi:10.1039/c4ee01463d.
@article{osti_1392329,
title = {Extraordinary role of Hg in enhancing the thermoelectric performance of p-type SnTe},
author = {Tan, Gangjian and Shi, Fengyuan and Doak, Jeff W. and Sun, Hui and Zhao, Li-Dong and Wang, Pengli and Uher, Ctirad and Wolverton, Chris and Dravid, Vinayak P. and Kanatzidis, Mercouri G.},
abstractNote = {We report several synergistic effects in Hg alloying of SnTe to enhance the power factor and overall figure of merit ZT. Hg alloying decreases the energy separation between the two valence bands, leading to pronounced band convergence that improves the Seebeck coefficient. Hg alloying of SnTe also significantly enlarges the band gap thereby effectively suppressing the bipolar diffusion. Collectively, this results in high ZT of similar to 1.35 at 910 K for 2% Bi-doped SnTe with 3% HgTe. The solubility limit of Hg in SnTe is less than 3 mol%, and above this level we observe HgTe precipitates in the SnTe matrix, typically trapped at grain boundary triple junctions. The strong point defect scattering of phonons caused by Hg alloying coupled with mesoscale scattering via grain boundaries contributes to a great reduction of lattice thermal conductivity. The multiple synergistic roles that Hg plays in regulating the electron and phonon transport in SnTe provide important new insights into continued optimization of SnTe-based and related materials.},
doi = {10.1039/c4ee01463d},
journal = {Energy & Environmental Science},
issn = {1754-5692},
number = 1,
volume = 8,
place = {United States},
year = {2015},
month = {1}
}

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