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Author:

Yang, Jian (Yang, Jian.) | Zhang, Xiangzhao (Zhang, Xiangzhao.) | Liu, Guiwu (Liu, Guiwu.) | Zhao, Lijun (Zhao, Lijun.) | Liu, Junlin (Liu, Junlin.) | Shi, Zhongqi (Shi, Zhongqi.) | Ding, Jianning (Ding, Jianning.) | Qiao, Guanjun (Qiao, Guanjun.)

Indexed by:

EI SCIE Scopus Engineering Village

Abstract:

PbS shares several similar features with PbTe and PbSe, and it is much more earth-abundant and inexpensive, which is characteristic of promising Te/Se-free thermoelectric materials for intermediate temperature power generation. However, its thermal conductivity is much higher than those of PbTe and PbSe, which bring a big challenge for obtaining high-performance PbS. In this study, we rationally integrate multiscale structure involving point defects, nanoprecipitates, grain boundaries and dislocations in PbS by doping for decreasing lattice thermal conductivity and simultaneously tuning energy band configuration. Density functional theory (DFT) calculations demonstrate that the ClS–SbPb defects with the lowest formation energy create an obvious shallow donor band and push upward-moving Fermi level, in good agreement with high electrical transport properties. Remarkably, PbS-0.067%PbCl2-1.5%Sb sample presents outstanding ZT of ~1.0 at 823 K and averaged ZT of ~0.62 at 423–823 K due to a low lattice thermal conductivity and a high power factor. © 2020 Elsevier Ltd

Keyword:

Crystal lattices Density functional theory Grain boundaries IV-VI semiconductors Lead compounds Point defects Precipitation (chemical) Selenium compounds Tellurium compounds Thermal conductivity Thermoelectric equipment Thermoelectricity Tuning

Author Community:

  • [ 1 ] [Yang, Jian]School of Materials Science and Engineering, Jiangsu University, Zhenjiang; 212013, China
  • [ 2 ] [Yang, Jian]School of Mechanical Engineering, Jiangsu University, Zhenjiang; 212013, China
  • [ 3 ] [Zhang, Xiangzhao]School of Materials Science and Engineering, Jiangsu University, Zhenjiang; 212013, China
  • [ 4 ] [Liu, Guiwu]School of Materials Science and Engineering, Jiangsu University, Zhenjiang; 212013, China
  • [ 5 ] [Zhao, Lijun]School of Materials Science and Engineering, Jiangsu University, Zhenjiang; 212013, China
  • [ 6 ] [Liu, Junlin]School of Materials Science and Engineering, Jiangsu University, Zhenjiang; 212013, China
  • [ 7 ] [Shi, Zhongqi]State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an; 710049, China
  • [ 8 ] [Ding, Jianning]School of Mechanical Engineering, Jiangsu University, Zhenjiang; 212013, China
  • [ 9 ] [Qiao, Guanjun]School of Materials Science and Engineering, Jiangsu University, Zhenjiang; 212013, China
  • [ 10 ] [Qiao, Guanjun]State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an; 710049, China

Reprint Author's Address:

  • [Liu, Guiwu]School of Materials Science and Engineering, Jiangsu University, Zhenjiang; 212013, China;;

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Source :

Nano Energy

ISSN: 2211-2855

Year: 2020

Volume: 74

1 7 . 8 8 1

JCR@2020

1 7 . 8 8 1

JCR@2020

ESI Discipline: MATERIALS SCIENCE;

ESI HC Threshold:84

CAS Journal Grade:1

Cited Count:

WoS CC Cited Count: 19

SCOPUS Cited Count: 39

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 4

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