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Title: Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe–SrTe

Abstract

The broad-based implementation of thermoelectric materials in converting heat to electricity hinges on the achievement of high conversion efficiency. Here we demonstrate a thermoelectric figure of merit ZT of 2.5 at 923 K by the cumulative integration of several performance-enhancing concepts in a single material system. Using non-equilibrium processing we show that hole-doped samples of PbTe can be heavily alloyed with SrTe well beyond its thermodynamic solubility limit of <1 mol%. The much higher levels of Sr alloyed into the PbTe matrix widen the bandgap and create convergence of the two valence bands of PbTe, greatly boosting the power factors with maximal values over 30 μWcm -1 K -2. Exceeding the 5 mol% solubility limit leads to endotaxial SrTe nanostructures which produce extremely low lattice thermal conductivity of 0.5 Wm -1 K -1 but preserve high hole mobilities because of the matrix/precipitate valence band alignment. The best composition is hole-doped PbTe-8% SrTe.

Authors:
ORCiD logo [1];  [2];  [2];  [3]; ORCiD logo [4];  [2];  [4];  [2];  [2];  [5]
  1. Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry
  2. Northwestern Univ., Evanston, IL (United States). Dept. of Materials Science and Engineering
  3. Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry; Beihang Univ., Beijing (China). School of Materials Science and Engineering
  4. Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Physics
  5. Northwestern Univ., Evanston, IL (United States). Dept. of Chemistry; Argonne National Lab. (ANL), Argonne, IL (United States). Materials Science Division
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences and Engineering Division
OSTI Identifier:
1326596
Grant/Contract Number:  
AC02-06CH11357; SC0014520
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 7; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Tan, Gangjian, Shi, Fengyuan, Hao, Shiqiang, Zhao, Li-Dong, Chi, Hang, Zhang, Xiaomi, Uher, Ctirad, Wolverton, Chris, Dravid, Vinayak P., and Kanatzidis, Mercouri G. Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe–SrTe. United States: N. p., 2016. Web. doi:10.1038/ncomms12167.
Tan, Gangjian, Shi, Fengyuan, Hao, Shiqiang, Zhao, Li-Dong, Chi, Hang, Zhang, Xiaomi, Uher, Ctirad, Wolverton, Chris, Dravid, Vinayak P., & Kanatzidis, Mercouri G. Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe–SrTe. United States. https://doi.org/10.1038/ncomms12167
Tan, Gangjian, Shi, Fengyuan, Hao, Shiqiang, Zhao, Li-Dong, Chi, Hang, Zhang, Xiaomi, Uher, Ctirad, Wolverton, Chris, Dravid, Vinayak P., and Kanatzidis, Mercouri G. Tue . "Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe–SrTe". United States. https://doi.org/10.1038/ncomms12167. https://www.osti.gov/servlets/purl/1326596.
@article{osti_1326596,
title = {Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe–SrTe},
author = {Tan, Gangjian and Shi, Fengyuan and Hao, Shiqiang and Zhao, Li-Dong and Chi, Hang and Zhang, Xiaomi and Uher, Ctirad and Wolverton, Chris and Dravid, Vinayak P. and Kanatzidis, Mercouri G.},
abstractNote = {The broad-based implementation of thermoelectric materials in converting heat to electricity hinges on the achievement of high conversion efficiency. Here we demonstrate a thermoelectric figure of merit ZT of 2.5 at 923 K by the cumulative integration of several performance-enhancing concepts in a single material system. Using non-equilibrium processing we show that hole-doped samples of PbTe can be heavily alloyed with SrTe well beyond its thermodynamic solubility limit of <1 mol%. The much higher levels of Sr alloyed into the PbTe matrix widen the bandgap and create convergence of the two valence bands of PbTe, greatly boosting the power factors with maximal values over 30 μWcm -1 K -2. Exceeding the 5 mol% solubility limit leads to endotaxial SrTe nanostructures which produce extremely low lattice thermal conductivity of 0.5 Wm -1 K -1 but preserve high hole mobilities because of the matrix/precipitate valence band alignment. The best composition is hole-doped PbTe-8% SrTe.},
doi = {10.1038/ncomms12167},
journal = {Nature Communications},
number = ,
volume = 7,
place = {United States},
year = {Tue Jul 26 00:00:00 EDT 2016},
month = {Tue Jul 26 00:00:00 EDT 2016}
}

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Local nanostructures enhanced the thermoelectric performance of n-type PbTe
journal, January 2019

  • Xiang, Bo; Liu, Jiaqin; Yan, Jian
  • Journal of Materials Chemistry A, Vol. 7, Issue 31
  • DOI: 10.1039/c9ta06247e

The high thermoelectric performance of slightly Sb doped PbTe alloys
journal, January 2020

  • Chen, Tingting; Zhang, Kaiqi; Wang, Hongchao
  • Journal of Materials Chemistry C, Vol. 8, Issue 5
  • DOI: 10.1039/c9tc06124j

Mechanochemical synthesis of high thermoelectric performance bulk Cu 2 X (X = S, Se) materials
journal, November 2016

  • Yang, Dongwang; Su, Xianli; Yan, Yonggao
  • APL Materials, Vol. 4, Issue 11
  • DOI: 10.1063/1.4968521

Lattice thermal transport in group II-alloyed PbTe
journal, April 2018

  • Xia, Yi; Hodges, James M.; Kanatzidis, Mercouri G.
  • Applied Physics Letters, Vol. 112, Issue 18
  • DOI: 10.1063/1.5002587

Revisiting lattice thermal transport in PbTe: The crucial role of quartic anharmonicity
journal, August 2018


First-principles investigation of the electronic structures and Seebeck coefficients of PbTe/SrTe interfaces
journal, January 2019

  • Li, Jingyu; Wang, Yuanxu; Zhang, Guangbiao
  • Journal of Applied Physics, Vol. 125, Issue 3
  • DOI: 10.1063/1.5053710

Synergistic tuning of carrier mobility, effective mass, and point defects scattering triggered high thermoelectric performance in n -type Ge-doped PbTe
journal, February 2019

  • Wang, Zhengshang; He, Huan; Cui, Xudong
  • Journal of Applied Physics, Vol. 125, Issue 5
  • DOI: 10.1063/1.5084083

Low lattice thermal conductivity by alloying SnTe with AgSbTe 2 and CaTe/MnTe
journal, August 2019

  • Chen, Zhiyu; Gao, Bo; Tang, Jing
  • Applied Physics Letters, Vol. 115, Issue 7
  • DOI: 10.1063/1.5109465

Thermoelectric properties improvement in quasi-one-dimensional organic crystals
journal, November 2019

  • Sanduleac, Ionel; Pflaum, Jens; Casian, Anatolie
  • Journal of Applied Physics, Vol. 126, Issue 17
  • DOI: 10.1063/1.5120461

Point defects in PbCdTe solid solutions
journal, February 2020

  • Horichok, I. V.; Parashchuk, T. O.
  • Journal of Applied Physics, Vol. 127, Issue 5
  • DOI: 10.1063/1.5130747

Breakdown of the Wiedemann–Franz law in a unitary Fermi gas
journal, August 2018

  • Husmann, Dominik; Lebrat, Martin; Häusler, Samuel
  • Proceedings of the National Academy of Sciences, Vol. 115, Issue 34
  • DOI: 10.1073/pnas.1803336115

Electron–phonon coupling in semiconductors within the GW approximation
journal, December 2018

  • Karsai, Ferenc; Engel, Manuel; Flage-Larsen, Espen
  • New Journal of Physics, Vol. 20, Issue 12
  • DOI: 10.1088/1367-2630/aaf53f

Odyssey of thermoelectric materials: foundation of the complex structure
journal, June 2018

  • Masood, Khalid Bin; Kumar, Pushpendra; Singh, R. A.
  • Journal of Physics Communications, Vol. 2, Issue 6
  • DOI: 10.1088/2399-6528/aab64f

Power-Source-Free Analysis of Pyroelectric Energy Conversion
journal, July 2019


Enhancing Thermoelectric Performance Using Nonlinear Transport Effects
journal, June 2017


Monte Carlo phonon transport simulations in hierarchically disordered silicon nanostructures
journal, September 2018

  • Chakraborty, Dhritiman; Foster, Samuel; Neophytou, Neophytos
  • Physical Review B, Vol. 98, Issue 11
  • DOI: 10.1103/physrevb.98.115435

Hierarchical nanostructuring approaches for thermoelectric materials with high power factors
journal, January 2019


Structural hierarchy as a key to complex phase selection in Al-Sm
journal, October 2017


Microstructure Evolution of Ag-Alloyed PbTe-Based Compounds and Implications for Thermoelectric Performance
journal, September 2017

  • Grossfeld, Tom; Sheskin, Ariel; Gelbstein, Yaniv
  • Crystals, Vol. 7, Issue 9
  • DOI: 10.3390/cryst7090281

Influence of Nanostructuration on PbTe Alloys Synthesized by Arc-Melting
journal, November 2019

  • Gainza, Javier; Serrano-Sánchez, Federico; Biskup, Neven
  • Materials, Vol. 12, Issue 22
  • DOI: 10.3390/ma12223783

Highly Textured N-Type SnSe Polycrystals with Enhanced Thermoelectric Performance
journal, November 2019


Compromise and Synergy in High-Efficiency Thermoelectric Materials
journal, March 2017


Design of Highly Efficient Thermoelectric Materials: Tailoring Reciprocal-Space Properties by Real-Space Modification
journal, September 2018


High‐Performance Thermoelectric SnSe: Aqueous Synthesis, Innovations, and Challenges
journal, February 2020


High Thermoelectric Performance in PbSe–NaSbSe 2 Alloys from Valence Band Convergence and Low Thermal Conductivity
journal, July 2019

  • Slade, Tyler J.; Bailey, Trevor P.; Grovogui, Jann A.
  • Advanced Energy Materials, Vol. 9, Issue 30
  • DOI: 10.1002/aenm.201901377

Discordant nature of Cd in PbSe: off-centering and core–shell nanoscale CdSe precipitates lead to high thermoelectric performance
journal, January 2020

  • Cai, Songting; Hao, Shiqiang; Luo, Zhong-Zhen
  • Energy & Environmental Science, Vol. 13, Issue 1
  • DOI: 10.1039/c9ee03087e

Enhanced thermoelectric transport properties of n-type InSe due to the emergence of the flat band by Si doping
journal, January 2019

  • Lee, Kyu Hyoung; Oh, Min-Wook; Kim, Hyun-Sik
  • Inorganic Chemistry Frontiers, Vol. 6, Issue 6
  • DOI: 10.1039/c9qi00210c

Discordant nature of Cd in GeTe enhances phonon scattering and improves band convergence for high thermoelectric performance
journal, January 2020

  • Nshimyimana, Evariste; Hao, Shiqiang; Su, Xianli
  • Journal of Materials Chemistry A, Vol. 8, Issue 3
  • DOI: 10.1039/c9ta10436d

Origin of the enhancement in transport properties on polycrystalline SnSe with compositing two-dimensional material MoSe 2
journal, February 2017


Tuning of Mg content to enhance the thermoelectric properties in binary Mg 2+ δ Si ( δ = 0, 0.1, 0.15, 0.2)
journal, November 2019

  • Balasubramanian, Priyadarshini; Battabyal, Manjusha; Das, Dhruba
  • Materials Research Express, Vol. 6, Issue 12
  • DOI: 10.1088/2053-1591/ab58fb

Thermoelectric power generation: from new materials to devices
journal, July 2019

  • Tan, Gangjian; Ohta, Michihiro; Kanatzidis, Mercouri G.
  • Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 377, Issue 2152
  • DOI: 10.1098/rsta.2018.0450

Chalcogenide Thermoelectrics Empowered by an Unconventional Bonding Mechanism
text, January 2019


BiCuSeO Thermoelectrics: An Update on Recent Progress and Perspective
journal, February 2017

  • Zhang, Xiaoxuan; Chang, Cheng; Zhou, Yiming
  • Materials, Vol. 10, Issue 2
  • DOI: 10.3390/ma10020198

Manipulation of Band Degeneracy and Lattice Strain for Extraordinary PbTe Thermoelectrics
journal, January 2020


Chalcogenide Thermoelectrics Empowered by an Unconventional Bonding Mechanism
journal, August 2019

  • Yu, Yuan; Cagnoni, Matteo; Cojocaru‐Mirédin, Oana
  • Advanced Functional Materials
  • DOI: 10.1002/adfm.201904862

2D Black Phosphorus for Energy Storage and Thermoelectric Applications
journal, June 2017


Breakdown of the Wiedemann–Franz law in a unitary Fermi gas
text, January 2018


Simultaneous Boost of Power Factor and Figure‐of‐Merit in In–Cu Codoped SnTe
journal, July 2019


Enhancing Thermoelectric Performance Using Nonlinear Transport Effects
text, January 2016


Lattice thermal transport in group II-alloyed PbTe
text, January 2017


Unveiling a Novel, Cation-Rich Compound in a High-Pressure Pb–Te Binary System
journal, April 2019


BiCuSeO Thermoelectrics: An Update on Recent Progress and Perspective
journal, February 2017

  • Zhang, Xiaoxuan; Chang, Cheng; Zhou, Yiming
  • Materials, Vol. 10, Issue 2
  • DOI: 10.3390/ma10020198

Thermal Stability of P-Type BiSbTe Alloys Prepared by Melt Spinning and Rapid Sintering
journal, June 2017

  • Zheng, Yun; Tan, Gangjian; Luo, Yubo
  • Materials, Vol. 10, Issue 6
  • DOI: 10.3390/ma10060617

Influence of Nanostructuration on PbTe Alloys Synthesized by Arc-Melting
journal, November 2019

  • Gainza, Javier; Serrano-Sánchez, Federico; Biskup, Neven
  • Materials, Vol. 12, Issue 22
  • DOI: 10.3390/ma12223783

Highly Textured N-Type SnSe Polycrystals with Enhanced Thermoelectric Performance
journal, November 2019


Manipulation of Band Degeneracy and Lattice Strain for Extraordinary PbTe Thermoelectrics
journal, January 2020