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Title: Intrinsically low thermal conductivity from a quasi-one-dimensional crystal structure and enhanced electrical conductivity network via Pb doping in SbCrSe 3

The development of new routes for the production of thermoelectric materials with low-cost and high-performance characteristics has been one of the long-term strategies for saving and harvesting thermal energy. We report a new approach for improving thermoelectric properties by employing the intrinsically low thermal conductivity of a quasi-one-dimensional (quasi-1D) crystal structure and optimizing the power factor with aliovalent ion doping. As an example, we demonstrated that SbCrSe 3, in which two parallel chains of CrSe 6 octahedra are linked by antimony atoms, possesses a quasi-1D property that resulted in an ultra-low thermal conductivity of 0.56 W m -1 K -1 at 900 K. After maximizing the power factor by Pb doping, the peak ZT value of the optimized Pb-doped sample reached 0.46 at 900 K, which is an enhancement of 24 times that of the parent SbCrSe 3 structure. The mechanisms that lead to low thermal conductivity derive from anharmonic phonons with the presence of the lone-pair electrons of Sb atoms and weak bonds between the CrSe 6 double chains. Our results shed new light on the design of new and high-performance thermoelectric materials.
Authors:
 [1] ;  [2] ;  [2] ; ORCiD logo [3] ;  [2] ;  [2] ;  [4] ;  [5] ;  [6] ;  [7] ;  [2]
  1. Chinese Academy of Sciences (CAS), Beijing (China). Congqing Inst. of Green and Intelligent Technology; Chongqing Univ. (China). Colleg of Chemistry and Chemical Engineering; Beijing Univ. of Technology, Beijing (China). Inst. of Microstructure and Properties of Advanced Materials
  2. Chongqing Univ. (China). College of Physics
  3. Chinese Academy of Sciences (CAS), Shanghai (China). Shanghai Inst. of Ceramics
  4. Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Physics
  5. Beijing Univ. of Technology, Beijing (China). Inst. of Microstructure and Properties of Advanced Materials
  6. Chinese Academy of Sciences (CAS), Beijing (China). Congqing Inst. of Green and Intelligent Technology; Univ. of Chinese Academy of Sciences, Beijing (China)
  7. Chongqing Univ. (China). Colleg of Chemistry and Chemical Engineering
Publication Date:
Grant/Contract Number:
PI0000012
Type:
Accepted Manuscript
Journal Name:
NPG Asia Materials (Online)
Additional Journal Information:
Journal Name: NPG Asia Materials (Online); Journal Volume: 9; Journal Issue: 6; Journal ID: ISSN 1884-4057
Publisher:
Nature Publishing Group Asia
Research Org:
Univ. of Michigan, Ann Arbor, MI (United States)
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE
OSTI Identifier:
1374887