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Title: On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective

Abstract

During the last two decades, we have witnessed great progress in research on thermoelectrics. There are two primary focuses. One is the fundamental understanding of electrical and thermal transport, enabled by the interplay of theory and experiment; the other is the substantial enhancement of the performance of various thermoelectric materials, through synergistic optimisation of those intercorrelated transport parameters. In this article, we review some of the successful strategies for tuning electrical and thermal transport. For electrical transport, we start from the classical but still very active strategy of tuning band degeneracy (or band convergence), then discuss the engineering of carrier scattering, and finally address the concept of conduction channels and conductive networks that emerge in complex thermoelectric materials. For thermal transport, we summarise the approaches for studying thermal transport based on phonon–phonon interactions valid for conventional solids, as well as some quantitative efforts for nanostructures. We also discuss the thermal transport in complex materials with chemical-bond hierarchy, in which a portion of the atoms (or subunits) are weakly bonded to the rest of the structure, leading to an intrinsic manifestation of part-crystalline part-liquid state at elevated temperatures. In this review, we provide a summary of achievements made in recent studiesmore » of thermoelectric transport properties, and demonstrate how they have led to improvements in thermoelectric performance by the integration of modern theory and experiment, and point out some challenges and possible directions.« less

Authors:
 [1];  [2];  [3];  [1];  [2];  [2];  [4];  [5];  [6];  [7]
  1. Shanghai Univ. (China). Materials Genome Inst.
  2. Chinese Academy of Sciences (CAS), Shanghai (China). Shanghai Inst. of Ceramics, State Key Lab. of High Perf. Ceramics and Superfine Microstructure
  3. Chinese Academy of Sciences (CAS), Shanghai (China). Shanghai Inst. of Ceramics, State Key Lab. of High Perf. Ceramics and Superfine Microstructure; East China Normal Univ. (ECNU), Shanghai (China). Dept. of Physics
  4. Univ. of Washington, Seattle, WA (United States). Material Science and Engineering Dept.
  5. Shanghai Univ. (China). Materials Genome Inst.; Chinese Academy of Sciences (CAS), Shanghai (China). Shanghai Inst. of Ceramics, State Key Lab. of High Perf. Ceramics and Superfine Microstructure
  6. Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Physics
  7. Univ. of Missouri, Columbia, MO (United States). Dept. of Physics and Astronomy
Publication Date:
Research Org.:
General Motors LLC, Detroit, MI (United States); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). S3TEC Energy Frontier Research Center
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); National Basic Research Program of China; National Natural Science Foundation of China (NNSFC); Shanghai Science and Technology Committee (STCSM); International S&T Cooperation Program of China; Univ. of Missouri, Columbia, MO (United States); National Science Foundation (NSF)
OSTI Identifier:
1438465
Grant/Contract Number:  
FC26-04NT42278; SC0001299; 2013CB632501; 11234012; KGZD-EW-T06; 14DZ2261200; 15JC1400301; 2015DFA51050; SC-0008574; FG02–09ER46577; 1235535
Resource Type:
Accepted Manuscript
Journal Name:
npj Computational Materials
Additional Journal Information:
Journal Volume: 2; Journal Issue: 1; Journal ID: ISSN 2057-3960
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats

Yang, Jiong, Xi, Lili, Qiu, Wujie, Wu, Lihua, Shi, Xun, Chen, Lidong, Yang, Jihui, Zhang, Wenqing, Uher, Ctirad, and Singh, David J. On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective. United States: N. p., 2016. Web. doi:10.1038/npjcompumats.2015.15.
Yang, Jiong, Xi, Lili, Qiu, Wujie, Wu, Lihua, Shi, Xun, Chen, Lidong, Yang, Jihui, Zhang, Wenqing, Uher, Ctirad, & Singh, David J. On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective. United States. doi:10.1038/npjcompumats.2015.15.
Yang, Jiong, Xi, Lili, Qiu, Wujie, Wu, Lihua, Shi, Xun, Chen, Lidong, Yang, Jihui, Zhang, Wenqing, Uher, Ctirad, and Singh, David J. Fri . "On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective". United States. doi:10.1038/npjcompumats.2015.15. https://www.osti.gov/servlets/purl/1438465.
@article{osti_1438465,
title = {On the tuning of electrical and thermal transport in thermoelectrics: an integrated theory–experiment perspective},
author = {Yang, Jiong and Xi, Lili and Qiu, Wujie and Wu, Lihua and Shi, Xun and Chen, Lidong and Yang, Jihui and Zhang, Wenqing and Uher, Ctirad and Singh, David J.},
abstractNote = {During the last two decades, we have witnessed great progress in research on thermoelectrics. There are two primary focuses. One is the fundamental understanding of electrical and thermal transport, enabled by the interplay of theory and experiment; the other is the substantial enhancement of the performance of various thermoelectric materials, through synergistic optimisation of those intercorrelated transport parameters. In this article, we review some of the successful strategies for tuning electrical and thermal transport. For electrical transport, we start from the classical but still very active strategy of tuning band degeneracy (or band convergence), then discuss the engineering of carrier scattering, and finally address the concept of conduction channels and conductive networks that emerge in complex thermoelectric materials. For thermal transport, we summarise the approaches for studying thermal transport based on phonon–phonon interactions valid for conventional solids, as well as some quantitative efforts for nanostructures. We also discuss the thermal transport in complex materials with chemical-bond hierarchy, in which a portion of the atoms (or subunits) are weakly bonded to the rest of the structure, leading to an intrinsic manifestation of part-crystalline part-liquid state at elevated temperatures. In this review, we provide a summary of achievements made in recent studies of thermoelectric transport properties, and demonstrate how they have led to improvements in thermoelectric performance by the integration of modern theory and experiment, and point out some challenges and possible directions.},
doi = {10.1038/npjcompumats.2015.15},
journal = {npj Computational Materials},
number = 1,
volume = 2,
place = {United States},
year = {2016},
month = {2}
}

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