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Title: High Thermoelectric Performance in PbSe–NaSbSe 2 Alloys from Valence Band Convergence and Low Thermal Conductivity

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [1]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [2]; ORCiD logo [1]
  1. Department of ChemistryNorthwestern University Evanston IL 60208 USA
  2. Department of PhysicsUniversity of Michigan Ann Arbor MI 48109 USA
  3. Department of Materials Science and EngineeringNorthwestern University Evanston IL 60208 USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1530472
Grant/Contract Number:  
DE‐SC0014520‐0003
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Advanced Energy Materials
Additional Journal Information:
Journal Name: Advanced Energy Materials Journal Volume: 9 Journal Issue: 30; Journal ID: ISSN 1614-6832
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Germany
Language:
English

Citation Formats

Slade, Tyler J., Bailey, Trevor P., Grovogui, Jann A., Hua, Xia, Zhang, Xiaomi, Kuo, Jimmy Jiahong, Hadar, Ido, Snyder, G. Jeffrey, Wolverton, Chris, Dravid, Vinayak P., Uher, Ctirad, and Kanatzidis, Mercouri G. High Thermoelectric Performance in PbSe–NaSbSe 2 Alloys from Valence Band Convergence and Low Thermal Conductivity. Germany: N. p., 2019. Web. doi:10.1002/aenm.201901377.
Slade, Tyler J., Bailey, Trevor P., Grovogui, Jann A., Hua, Xia, Zhang, Xiaomi, Kuo, Jimmy Jiahong, Hadar, Ido, Snyder, G. Jeffrey, Wolverton, Chris, Dravid, Vinayak P., Uher, Ctirad, & Kanatzidis, Mercouri G. High Thermoelectric Performance in PbSe–NaSbSe 2 Alloys from Valence Band Convergence and Low Thermal Conductivity. Germany. doi:10.1002/aenm.201901377.
Slade, Tyler J., Bailey, Trevor P., Grovogui, Jann A., Hua, Xia, Zhang, Xiaomi, Kuo, Jimmy Jiahong, Hadar, Ido, Snyder, G. Jeffrey, Wolverton, Chris, Dravid, Vinayak P., Uher, Ctirad, and Kanatzidis, Mercouri G. Tue . "High Thermoelectric Performance in PbSe–NaSbSe 2 Alloys from Valence Band Convergence and Low Thermal Conductivity". Germany. doi:10.1002/aenm.201901377.
@article{osti_1530472,
title = {High Thermoelectric Performance in PbSe–NaSbSe 2 Alloys from Valence Band Convergence and Low Thermal Conductivity},
author = {Slade, Tyler J. and Bailey, Trevor P. and Grovogui, Jann A. and Hua, Xia and Zhang, Xiaomi and Kuo, Jimmy Jiahong and Hadar, Ido and Snyder, G. Jeffrey and Wolverton, Chris and Dravid, Vinayak P. and Uher, Ctirad and Kanatzidis, Mercouri G.},
abstractNote = {},
doi = {10.1002/aenm.201901377},
journal = {Advanced Energy Materials},
number = 30,
volume = 9,
place = {Germany},
year = {2019},
month = {7}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1002/aenm.201901377

Citation Metrics:
Cited by: 12 works
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Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

High performance bulk thermoelectrics via a panoscopic approach
journal, May 2013


Rationally Designing High-Performance Bulk Thermoelectric Materials
journal, August 2016


Understanding Nanostructures in Thermoelectric Materials: An Electron Microscopy Study of AgPb 18 SbSe 20 Crystals
journal, October 2010

  • Lioutas, Christos B.; Frangis, Nikolaos; Todorov, Iliya
  • Chemistry of Materials, Vol. 22, Issue 19
  • DOI: 10.1021/cm102016j

Low effective mass leading to high thermoelectric performance
journal, January 2012

  • Pei, Yanzhong; LaLonde, Aaron D.; Wang, Heng
  • Energy & Environmental Science, Vol. 5, Issue 7
  • DOI: 10.1039/c2ee21536e

Projector augmented-wave method
journal, December 1994


Manipulation of ionized impurity scattering for achieving high thermoelectric performance in n-type Mg 3 Sb 2 -based materials
journal, September 2017

  • Mao, Jun; Shuai, Jing; Song, Shaowei
  • Proceedings of the National Academy of Sciences, Vol. 114, Issue 40
  • DOI: 10.1073/pnas.1711725114

High Figure of Merit in Nanostructured n-Type KPb m SbTe m +2 Thermoelectric Materials
journal, February 2010

  • Poudeu, Pierre F. P.; Guéguen, Aurélie; Wu, Chun-I
  • Chemistry of Materials, Vol. 22, Issue 3
  • DOI: 10.1021/cm902001c

Excessively Doped PbTe with Ge-Induced Nanostructures Enables High-Efficiency Thermoelectric Modules
journal, July 2018


Lattice Thermal Conductivity of Disordered Semiconductor Alloys at High Temperatures
journal, September 1963


Figure of merit ZT of a thermoelectric device defined from materials properties
journal, January 2017

  • Snyder, G. Jeffrey; Snyder, Alemayouh H.
  • Energy & Environmental Science, Vol. 10, Issue 11
  • DOI: 10.1039/C7EE02007D

High Thermoelectric Figure of Merit and Nanostructuring in Bulk p-type Na1−xPbmSbyTem+2
journal, June 2006

  • Poudeu, Pierre F. P.; D'Angelo, Jonathan; Downey, Adam D.
  • Angewandte Chemie International Edition, Vol. 45, Issue 23
  • DOI: 10.1002/anie.200600865

Thermodynamische Eigenschaften von IV–VI-Verbindungen: Bleichalkogenide / Thermodynamic Properties of IV–VI-Compounds: Leadchalcogenides
journal, October 1974

  • Blachnik, Roger; Igel, Rudolf
  • Zeitschrift für Naturforschung B, Vol. 29, Issue 9-10
  • DOI: 10.1515/znb-1974-9-1012

All-scale hierarchical thermoelectrics: MgTe in PbTe facilitates valence band convergence and suppresses bipolar thermal transport for high performance
journal, January 2013

  • Zhao, L. D.; Wu, H. J.; Hao, S. Q.
  • Energy & Environmental Science, Vol. 6, Issue 11
  • DOI: 10.1039/c3ee42187b

Thermophysical properties of polycrystalline PbS, PbSe, and PbTe in the temperature range 300?700 K
journal, September 1983

  • El-Sharkawy, A. A.; Abou El-Azm, A. M.; Kenawy, M. I.
  • International Journal of Thermophysics, Vol. 4, Issue 3
  • DOI: 10.1007/BF00502357

Tuning bands of PbSe for better thermoelectric efficiency
journal, January 2014

  • Wang, Heng; Gibbs, Zachary M.; Takagiwa, Yoshiki
  • Energy Environ. Sci., Vol. 7, Issue 2
  • DOI: 10.1039/C3EE43438A

Grain boundary scattering effects on mobilities in p-type polycrystalline SnSe
journal, January 2017

  • Wang, Si; Hui, Si; Peng, Kunling
  • J. Mater. Chem. C, Vol. 5, Issue 39
  • DOI: 10.1039/C7TC03022C

Measuring thermoelectric transport properties of materials
journal, January 2015

  • Borup, Kasper A.; de Boor, Johannes; Wang, Heng
  • Energy & Environmental Science, Vol. 8, Issue 2
  • DOI: 10.1039/C4EE01320D

Contrasting role of antimony and bismuth dopants on the thermoelectric performance of lead selenide
journal, May 2014

  • Lee, Yeseul; Lo, Shih-Han; Chen, Changqiang
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms4640

High Thermoelectric Performance via Hierarchical Compositionally Alloyed Nanostructures
journal, May 2013

  • Zhao, Li-Dong; Hao, Shiqiang; Lo, Shih-Han
  • Journal of the American Chemical Society, Vol. 135, Issue 19
  • DOI: 10.1021/ja403134b

Convergence of electronic bands for high performance bulk thermoelectrics
journal, May 2011

  • Pei, Yanzhong; Shi, Xiaoya; LaLonde, Aaron
  • Nature, Vol. 473, Issue 7345, p. 66-69
  • DOI: 10.1038/nature09996

Enhancement of Thermoelectric Efficiency in PbTe by Distortion of the Electronic Density of States
journal, July 2008

  • Heremans, J. P.; Jovovic, V.; Toberer, E. S.
  • Science, Vol. 321, Issue 5888, p. 554-557
  • DOI: 10.1126/science.1159725

The electrical properties of polycrystalline silicon films
journal, December 1975

  • Seto, John Y. W.
  • Journal of Applied Physics, Vol. 46, Issue 12
  • DOI: 10.1063/1.321593

Band Engineering of Thermoelectric Materials
journal, October 2012


Chemical Insights into PbSe– x %HgSe: High Power Factor and Improved Thermoelectric Performance by Alloying with Discordant Atoms
journal, November 2018

  • Hodges, James M.; Hao, Shiqiang; Grovogui, Jann A.
  • Journal of the American Chemical Society, Vol. 140, Issue 51
  • DOI: 10.1021/jacs.8b11050

Thermoelectric power factor: Enhancement mechanisms and strategies for higher performance thermoelectric materials
journal, November 2015

  • Mehdizadeh Dehkordi, Arash; Zebarjadi, Mona; He, Jian
  • Materials Science and Engineering: R: Reports, Vol. 97
  • DOI: 10.1016/j.mser.2015.08.001

High-performance bulk thermoelectrics with all-scale hierarchical architectures
journal, September 2012

  • Biswas, Kanishka; He, Jiaqing; Blum, Ivan D.
  • Nature, Vol. 489, Issue 7416, p. 414-418
  • DOI: 10.1038/nature11439

Synergistically optimizing electrical and thermal transport properties of n -type PbSe
journal, June 2018

  • Qian, Xin; Xiao, Yu; Chang, Cheng
  • Progress in Natural Science: Materials International, Vol. 28, Issue 3
  • DOI: 10.1016/j.pnsc.2018.05.002

First-Principles Theory of Competing Order Types, Phase Separation, and Phonon Spectra in Thermoelectric AgPb m SbTe m + 2 Alloys
journal, October 2008


Thermoelectric Cooling and Power Generation
journal, July 1999


Thermoelectric generators: A review of applications
journal, May 2017


Soft phonon modes from off-center Ge atoms lead to ultralow thermal conductivity and superior thermoelectric performance in n-type PbSe–GeSe
journal, January 2018

  • Luo, Zhong-Zhen; Hao, Shiqiang; Zhang, Xiaomi
  • Energy & Environmental Science, Vol. 11, Issue 11
  • DOI: 10.1039/C8EE01755G

Ab initiomolecular dynamics for liquid metals
journal, January 1993


The bridge between the materials and devices of thermoelectric power generators
journal, January 2017

  • Kim, Hee Seok; Liu, Weishu; Ren, Zhifeng
  • Energy & Environmental Science, Vol. 10, Issue 1
  • DOI: 10.1039/C6EE02488B

Preparation and thermoelectric properties of AgPbmSbSem+2 materials
journal, June 2008


Valence Bands in Lead Telluride
journal, October 1961

  • Allgaier, R. S.
  • Journal of Applied Physics, Vol. 32, Issue 10
  • DOI: 10.1063/1.1777039

Thermoelectric Advances to Capture Waste Heat in Automobiles
journal, June 2018


Hall Coefficient Behavior and the Second Valence Band in Lead Telluride
journal, January 1966

  • Allgaier, R. S.; Houston, B. B.
  • Journal of Applied Physics, Vol. 37, Issue 1
  • DOI: 10.1063/1.1707831

Power generation from nanostructured PbTe-based thermoelectrics: comprehensive development from materials to modules
journal, January 2016

  • Hu, Xiaokai; Jood, Priyanka; Ohta, Michihiro
  • Energy & Environmental Science, Vol. 9, Issue 2
  • DOI: 10.1039/C5EE02979A

Uniaxial Expansion of the 2D Ruddlesden–Popper Perovskite Family for Improved Environmental Stability
journal, March 2019

  • Spanopoulos, Ioannis; Hadar, Ido; Ke, Weijun
  • Journal of the American Chemical Society, Vol. 141, Issue 13
  • DOI: 10.1021/jacs.9b01327

The panoscopic approach to high performance thermoelectrics
journal, January 2014

  • Zhao, Li-Dong; Dravid, Vinayak P.; Kanatzidis, Mercouri G.
  • Energy Environ. Sci., Vol. 7, Issue 1
  • DOI: 10.1039/C3EE43099E

Role of Sodium Doping in Lead Chalcogenide Thermoelectrics
journal, March 2013

  • He, Jiaqing; Zhao, Li-Dong; Zheng, Jin-Cheng
  • Journal of the American Chemical Society, Vol. 135, Issue 12
  • DOI: 10.1021/ja312562d

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965


Probing the energy levels of perovskite solar cells via Kelvin probe and UV ambient pressure photoemission spectroscopy
journal, January 2016

  • Harwell, J. R.; Baikie, T. K.; Baikie, I. D.
  • Physical Chemistry Chemical Physics, Vol. 18, Issue 29
  • DOI: 10.1039/C6CP02446G

The Hall effect in polycrystalline and powdered semiconductors
journal, November 1980


Nanoporous PbSe-SiO 2 Thermoelectric Composites
journal, August 2017


Thinking Like a Chemist: Intuition in Thermoelectric Materials
journal, April 2016

  • Zeier, Wolfgang G.; Zevalkink, Alex; Gibbs, Zachary M.
  • Angewandte Chemie International Edition, Vol. 55, Issue 24
  • DOI: 10.1002/anie.201508381

Weak electron-phonon coupling contributing to high thermoelectric performance in n-type PbSe
journal, May 2012

  • Wang, H.; Pei, Y.; LaLonde, A. D.
  • Proceedings of the National Academy of Sciences, Vol. 109, Issue 25
  • DOI: 10.1073/pnas.1111419109

The Role of Ionized Impurity Scattering on the Thermoelectric Performances of Rock Salt AgPb m SnSe 2+ m
journal, May 2016

  • Pan, Lin; Mitra, Sunanda; Zhao, Li-Dong
  • Advanced Functional Materials, Vol. 26, Issue 28
  • DOI: 10.1002/adfm.201600623

Stabilizing the Optimal Carrier Concentration for High Thermoelectric Efficiency
journal, November 2011

  • Pei, Yanzhong; LaLonde, Aaron D.; Heinz, Nicholas A.
  • Advanced Materials, Vol. 23, Issue 47
  • DOI: 10.1002/adma.201103153

Discovery of high-performance low-cost n-type Mg3Sb2-based thermoelectric materials with multi-valley conduction bands
journal, January 2017

  • Zhang, Jiawei; Song, Lirong; Pedersen, Steffen Hindborg
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms13901

Understanding the role and interplay of heavy-hole and light-hole valence bands in the thermoelectric properties of PbSe
journal, February 2015


Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Extension of the Aukerman‐Willardson Two‐Band Hall Coefficient Analysis
journal, August 1965

  • Allgaier, R. S.
  • Journal of Applied Physics, Vol. 36, Issue 8
  • DOI: 10.1063/1.1714505

New and Old Concepts in Thermoelectric Materials
journal, November 2009

  • Sootsman, Joseph R.; Chung, Duck Young; Kanatzidis, Mercouri G.
  • Angewandte Chemie International Edition, Vol. 48, Issue 46, p. 8616-8639
  • DOI: 10.1002/anie.200900598

Materials for thermoelectric energy conversion
journal, April 1988


Cubic AgPbmSbTe2+m: Bulk Thermoelectric Materials with High Figure of Merit
journal, February 2004


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


All-Scale Hierarchically Structured p-Type PbSe Alloys with High Thermoelectric Performance Enabled by Improved Band Degeneracy
journal, February 2019

  • Tan, Gangjian; Hao, Shiqiang; Cai, Songting
  • Journal of the American Chemical Society, Vol. 141, Issue 10
  • DOI: 10.1021/jacs.9b00967

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994


Vacancy-induced dislocations within grains for high-performance PbSe thermoelectrics
journal, January 2017

  • Chen, Zhiwei; Ge, Binghui; Li, Wen
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms13828

Inhomogeneous Electron Gas
journal, November 1964


Nanostructured Thermoelectrics: The New Paradigm?
journal, February 2010

  • Kanatzidis, Mercouri G.
  • Chemistry of Materials, Vol. 22, Issue 3
  • DOI: 10.1021/cm902195j

Non-equilibrium processing leads to record high thermoelectric figure of merit in PbTe–SrTe
journal, July 2016

  • Tan, Gangjian; Shi, Fengyuan; Hao, Shiqiang
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms12167

Absence of Nanostructuring in NaPb m SbTe m +2 : Solid Solutions with High Thermoelectric Performance in the Intermediate Temperature Regime
journal, April 2018

  • Slade, Tyler J.; Grovogui, Jann A.; Hao, Shiqiang
  • Journal of the American Chemical Society, Vol. 140, Issue 22
  • DOI: 10.1021/jacs.8b04193

Boosting the thermoelectric performance of PbSe through dynamic doping and hierarchical phonon scattering
journal, January 2018

  • You, Li; Liu, Yefeng; Li, Xin
  • Energy & Environmental Science, Vol. 11, Issue 7
  • DOI: 10.1039/C8EE00418H

Higher mobility in bulk semiconductors by separating the dopants from the charge-conducting band – a case study of thermoelectric PbSe
journal, January 2015

  • Wang, Heng; Cao, Xianlong; Takagiwa, Yoshiki
  • Materials Horizons, Vol. 2, Issue 3
  • DOI: 10.1039/C5MH00021A

Macroscopic thermoelectric inhomogeneities in (AgSbTe2)x(PbTe)1−x
journal, October 2005

  • Chen, Nancy; Gascoin, Franck; Snyder, G. Jeffrey
  • Applied Physics Letters, Vol. 87, Issue 17
  • DOI: 10.1063/1.2056590

Grain boundary dominated charge transport in Mg 3 Sb 2 -based compounds
journal, January 2018

  • Kuo, Jimmy Jiahong; Kang, Stephen Dongmin; Imasato, Kazuki
  • Energy & Environmental Science, Vol. 11, Issue 2
  • DOI: 10.1039/C7EE03326E