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Title: Lattice Dislocations Enhancing Thermoelectric PbTe in Addition to Band Convergence

Abstract

Phonon scattering by nanostructures and point defects has become the primary strategy for minimizing the lattice thermal conductivity (κL) in thermoelectric materials. However, these scatterers are only effective at the extremes of the phonon spectrum. Recently, it has been demonstrated that dislocations are effective at scattering the remaining mid-frequency phonons as well. In this work, by varying the concentration of Na in Pb0.97Eu0.03Te, it has been determined that the dominant microstructural features are point defects, lattice dislocations, and nanostructure interfaces. This study reveals that dense lattice dislocations (≈4 × 1012 cm-2) are particularly effective at reducing κL. When the dislocation concentration is maximized, one of the lowest κL values reported for PbTe is achieved. Furthermore, due to the band convergence of the alloyed 3% mol. EuTe the electronic performance is enhanced, and a high thermoelectric figure of merit, zT, of ≈2.2 is achieved. This work not only demonstrates the effectiveness of dense lattice dislocations as a means of lowering κL, but also the importance of engineering both thermal and electronic transport simultaneously when designing high-performance thermoelectrics.

Authors:
 [1];  [1];  [1];  [2];  [2];  [3];  [4];  [5];  [5];  [3];  [1]
  1. Tongji Univ., Shanghai (China). Key Lab. of Advanced Civil Engineering Materials of Ministry of Education, School of Materials Science and Engineering
  2. Chinese Academy of Sciences (CAS), Beijing (China). Beijing National Lab. for Condensed Matter Physics, Inst. of Physics
  3. Northwestern Univ., Evanston, IL (United States)
  4. Shanghai Univ., Shanghai (China). Materials Genome Inst.
  5. Univ. of Hong Kong (Hong Kong). Dept. of Mechanical Engineering
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1470458
Alternate Identifier(s):
OSTI ID: 1401533
Grant/Contract Number:  
SC0001299; FG02-09ER46577
Resource Type:
Accepted Manuscript
Journal Name:
Advanced Materials
Additional Journal Information:
Journal Volume: 29; Journal Issue: 23; Related Information: S3TEC partners with Massachusetts Institute of Technology (lead); Boston College; Oak Ridge National Laboratory; Rensselaer Polytechnic Institute; Journal ID: ISSN 0935-9648
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 42 ENGINEERING; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; band convergence; lattice dislocations; lattice thermal conductivity; thermoelectrics; solar (photovoltaic); solar (thermal); solid state lighting; phonons; thermal conductivity; thermoelectric; defects; mechanical behavior; charge transport; spin dynamics; materials and chemistry by design; optics; synthesis (novel materials); synthesis (self-assembly); synthesis (scalable processing)

Citation Formats

Chen, Zhiwei, Jian, Zhengzhong, Li, Wen, Chang, Yunjie, Ge, Binghui, Hanus, Riley, Yang, Jiong, Chen, Yue, Huang, Mingxin, Snyder, Gerald Jeffrey, and Pei, Yanzhong. Lattice Dislocations Enhancing Thermoelectric PbTe in Addition to Band Convergence. United States: N. p., 2017. Web. doi:10.1002/adma.201606768.
Chen, Zhiwei, Jian, Zhengzhong, Li, Wen, Chang, Yunjie, Ge, Binghui, Hanus, Riley, Yang, Jiong, Chen, Yue, Huang, Mingxin, Snyder, Gerald Jeffrey, & Pei, Yanzhong. Lattice Dislocations Enhancing Thermoelectric PbTe in Addition to Band Convergence. United States. https://doi.org/10.1002/adma.201606768
Chen, Zhiwei, Jian, Zhengzhong, Li, Wen, Chang, Yunjie, Ge, Binghui, Hanus, Riley, Yang, Jiong, Chen, Yue, Huang, Mingxin, Snyder, Gerald Jeffrey, and Pei, Yanzhong. Tue . "Lattice Dislocations Enhancing Thermoelectric PbTe in Addition to Band Convergence". United States. https://doi.org/10.1002/adma.201606768. https://www.osti.gov/servlets/purl/1470458.
@article{osti_1470458,
title = {Lattice Dislocations Enhancing Thermoelectric PbTe in Addition to Band Convergence},
author = {Chen, Zhiwei and Jian, Zhengzhong and Li, Wen and Chang, Yunjie and Ge, Binghui and Hanus, Riley and Yang, Jiong and Chen, Yue and Huang, Mingxin and Snyder, Gerald Jeffrey and Pei, Yanzhong},
abstractNote = {Phonon scattering by nanostructures and point defects has become the primary strategy for minimizing the lattice thermal conductivity (κL) in thermoelectric materials. However, these scatterers are only effective at the extremes of the phonon spectrum. Recently, it has been demonstrated that dislocations are effective at scattering the remaining mid-frequency phonons as well. In this work, by varying the concentration of Na in Pb0.97Eu0.03Te, it has been determined that the dominant microstructural features are point defects, lattice dislocations, and nanostructure interfaces. This study reveals that dense lattice dislocations (≈4 × 1012 cm-2) are particularly effective at reducing κL. When the dislocation concentration is maximized, one of the lowest κL values reported for PbTe is achieved. Furthermore, due to the band convergence of the alloyed 3% mol. EuTe the electronic performance is enhanced, and a high thermoelectric figure of merit, zT, of ≈2.2 is achieved. This work not only demonstrates the effectiveness of dense lattice dislocations as a means of lowering κL, but also the importance of engineering both thermal and electronic transport simultaneously when designing high-performance thermoelectrics.},
doi = {10.1002/adma.201606768},
journal = {Advanced Materials},
number = 23,
volume = 29,
place = {United States},
year = {Tue Apr 11 00:00:00 EDT 2017},
month = {Tue Apr 11 00:00:00 EDT 2017}
}

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  • DOI: 10.1039/c9ta01962f

Rationalizing phonon dispersion for lattice thermal conductivity of solids
journal, September 2018

  • Chen, Zhiwei; Zhang, Xinyue; Lin, Siqi
  • National Science Review, Vol. 5, Issue 6
  • DOI: 10.1093/nsr/nwy097

Detrimental Effects of Doping Al and Ba on the Thermoelectric Performance of GeTe
journal, November 2018

  • Srinivasan, Bhuvanesh; Gellé, Alain; Halet, Jean-François
  • Materials, Vol. 11, Issue 11
  • DOI: 10.3390/ma11112237

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

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


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


Improved electrical transport properties and optimized thermoelectric figure of merit in lithium-doped copper sulfides
journal, March 2018


Promising cubic MnGeTe2 thermoelectrics
journal, August 2018


Fermi-surface dynamics and high thermoelectric performance along the out-of-plane direction in n-type SnSe crystals
journal, January 2020

  • Mao, Lisha; Yin, Yinong; Zhang, Qiang
  • Energy & Environmental Science, Vol. 13, Issue 2
  • DOI: 10.1039/c9ee03897c

Enhancing thermoelectric performance by Fermi level tuning and thermal conductivity degradation in (Ge1−xBix)Te crystals
journal, June 2019


Improved Thermoelectric Properties and Environmental Stability of Conducting PEDOT:PSS Films Post-treated With Imidazolium Ionic Liquids
journal, January 2020


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

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