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Journal of Inorganic Materials, Volume. 34, Issue 3, 236(2019)

First Principles High-throughput Research on Thermoelectric Materials: a Review

Xin LI... Li-Li XI, Jiong YANG, [in Chinese], [in Chinese] and [in Chinese] |Show fewer author(s)
Author Affiliations
  • Materials Genome Institute, Shanghai University, Shanghai 200444, China
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    AbstractGet PDF(in Chinese)
    Figures&Tables (8)
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    References (53)
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    Figures & Tables(8)
    Schematic diagram of first principles high-throughput (HT) study on materials
    . Schematic diagram of first principles high-throughput (HT) study on materials

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    Relationship between calculation cost and accuracy
    . Relationship between calculation cost and accuracy

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    Electrical properties in MP with a constant relaxation time approximation[35]
    . Electrical properties in MP with a constant relaxation time approximation[35]

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    n- (a) and p-doped (b) average normalized power factor P/L and Seebeck coefficient[15]
    . n- (a) and p-doped (b) average normalized power factor P/L and Seebeck coefficient[15]

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    Power factor of chalcogenides with diamond-like structures (a) and vacancy-containing ternary chalcogenides (b)[20]
    . Power factor of chalcogenides with diamond-like structures (a) and vacancy-containing ternary chalcogenides (b)[20]

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    Relationship between κLAGLandκLanh/κLexp(Data from Ref.[13])
    . Relationship between κLAGLandκLanh/κLexp(Data from Ref.[13])

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    Relationship between calculated κL and experimental κL[12]
    . Relationship between calculated κL and experimental κL[12]

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    Three prediction models of the κL in half-Heusler compounds[16](a) Frequency densities of the estimators of thermal conductivity at 300 Kκtransfand κforest;and (b) distribution of κanhover the 75 thermodynamically stable half-Heuslers
    . Three prediction models of the κL in half-Heusler compounds[16]
    (a) Frequency densities of the estimators of thermal conductivity at 300 Kκtransfand κforest;and (b) distribution of κanhover the 75 thermodynamically stable half-Heuslers

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    Xin LI, Li-Li XI, Jiong YANG, [in Chinese], [in Chinese], [in Chinese]. First Principles High-throughput Research on Thermoelectric Materials: a Review[J]. Journal of Inorganic Materials, 2019, 34(3): 236

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    Paper Information

    Category: Research Articles

    Received: Jul. 16, 2018

    Accepted: --

    Published Online: Sep. 26, 2021

    The Author Email:

    DOI:10.15541/jim20180321

    Topics

    laser devices and laser physics
    Lasers and Laser Optics
    Laser physics
    laser manufacturing
    Instrumentation, Measurement and Metrology